Physical chemistry Books

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Book SynopsisThis text contains information on over 250 solvents. It answers key questions including; What hazards are connected with the use of a specific solvent? How can the molecular order of a solvent be described? Is water a unique solvent? Which solvent should be selected for my application?Table of ContentsSolvent Effects. Physical Properties of Solvents. Chemical Properties of Solvents. Applications. Index.

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Book SynopsisThe Viologens Physicochemical Properties, Synthesis and Applications of the Salts of 4,4''-Bipyridine Paul M. S. Monk Manchester Metropolitan University, UK Viologens are salts of 4,4''-bipyridine and are used in such fields as herbicides, electrochromism, solar energy conversion, molecular electronics and supramolecular chemistry. The Viologens is a comprehensive overview of the nature and physicochemical properties of the viologens and details the science behind the applications. Following a broad, discursive and self contained introduction to viologen chemistry, subsequent chapters develop the theory and present a detailed review of the most important properties and concepts in this field. A chapter on viologen synthesis is also included. This book is aimed at researchers in physical and organic chemistry, physics, materials science, biology and environmental engineering.Table of ContentsIntroduction and Overview. Synthesis of Viologens. Spectroscopic Properties of Viologen Species. The Structure of Bipyridilium Species. The Dication: Charge-transfer Equilibria. The Radical Cation: Dimer Formation. The Di-Reduced Bipyridilium Species: The Comproportionation Reaction. Adsorption of the Viologens. Electrochemistry and Electron-transfer Reactions. Photochemistry of the Viologens and Solar-energy Conversion. Electron Mediation, Herbicidal Activity and Toxicity. Electrochromism in Viologen-based Systems. Solid-state Conductivity and use of Viologens in Molecular Electronics. Supramolecular and Self Assembly Chemistry of the Viologens. Indexes.

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Book SynopsisStudents at all levels find considerable difficulty in applying their knowledge of organic chemistry to the solution of problems, often relying on memory alone. This book takes a unique approach to show that a general problem-solving strategy is applicable to many of the common reactions. Using a novel ''at-a-glance'' layout, the left-hand page provides a stepwise procedure for working through the reaction mechanisms, with helpful hints about the underlying chemistry, and the facing page contains a fully worked-through answer.Table of ContentsA Note from the author. Introduction. List of Abbreviations. 1. Nucleophilic Substitution and Elimination. 2. Alkene and Alkyne Chemistry. 3. Nucleophilic Additions to Carbonyl Groups. 4. Enolate Chemistry. 5. Aromatic Chemistry. 6. Rearrangements. Index

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Book SynopsisA comprehensive history of "happenstance plants" in American urban environments. Beginning in the late nineteenth century and continuing to the present, Falck examines the proliferation, perception, and treatment of weeds in metropolitan centers from Boston to Los Angeles.

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Book SynopsisDiscover the experimental and theoretical developments in optical single-molecule spectroscopy that are changing the ways we think about molecules and atoms The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This latest volume explores the advent of optical single-molecule spectroscopy, and how atomic force microscopy has empowered novel experiments on individual biomolecules, opening up new frontiers in molecular and cell biology and leading to new theoretical approaches and insights. Organized into two partsone experimental, the other theoreticalthis volume explores advances across the field of single-molecule biophysics, presenting new perspectives on the theoretical properties of atoms and molecules. Single-molecule experiments have provided fresh perspectives on questions such as how proteins fold to specific conformations from highly heterogTable of ContentsPreface xiii Part One Developments on Single-Molecule Experiments Staring at a Protein: Ensemble and Single-Molecule Investigations on Protein-Folding Dynamics 3 By Satoshi Takahashi and Kiyoto Kamagata Single-Molecule FRET of Protein-Folding Dynamics 23 By Daniel Nettels and Benjamin Schuler Quantitative Analysis of Single-Molecule FRET Signals and its Application to Telomere DNA 49 By Kenji Okamoto and Masahide Terazima Force to Unbind Ligand–Receptor Complexes and the Internal Rigidity of Globular Proteins Probed by Single-Molecule Force Spectroscopy 71 By Atsushi Ikai, Rehana Afrin, and Hiroshi Sekiguchi Recent Advances in Single-Molecule Biophysics with the Use of Atomic Force Microscopy 89 By Masaru Kawakami and Yukinori Taniguchi Dynamical Single-Molecule Observations of Membrane Protein Using High-Energy Probes 133 By Yuji C. Sasaki Single-Molecular Gating Dynamics for the KcsA Potassium Channel 147 By Shigetoshi Oiki, Hirofumi Shimizu, Masayuki Iwamoto, and Takashi Konno Static and Dynamic Disorder in IN VITRO Reconstituted Receptor–Adaptor Interaction 195 By Hiroaki Takagi, Miki Morimatsu, and Yasushi Sako Part Two Developments on Single-Molecule Theories and Analyses Change-Point Localization and Wavelet Spectral Analysis of Single-Molecule Time Series 219 By Haw Yang Theory of Single-Molecule FRET Efficiency Histograms 245 By Irina V. Gopich and Attila Szabo Multidimensional Energy Landscapes in Single-Molecule Biophysics 299 By Akinori Baba and Tamiki Komatsuzaki Generalized Michaelis–Menten Equation for Conformation Modulated Monomeric Enzymes 329 By Jianlan Wu and Jianshu Cao Making it Possible: Constructing a Reliable Mechanism from a Finite Trajectory 367 By Ophir Flomenbom Free Energy Landscapes of Proteins: Insights from Mechanical Probes 395 By Zu Thur Yew, Peter D. Olmsted, and Emanuele Paci Mechanochemical Coupling Revealed by the Fluctuation Analysis of Different Biomolecular Motors 419 By Hiroaki Takagi and Masatoshi Nishikawa Author Index 437 Subject Index 467

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Book SynopsisThis book presents a compilation of self-contained chapters covering a wide range of topics within the broad field of soft condensed matter. Each chapter starts with basic definitions to bring the reader up-to-date on the topic at hand, describing how to use fluid flows to generate soft materials of high value either for applications or for basic research. Coverage includes topics related to colloidal suspensions and soft materials and how they differ in behavior, along with a roadmap for researchers on how to use soft materials to study relevant physics questions related to geometrical frustration.Table of ContentsPreface xv List of Contributors xvii SECTION I FLUID FLOWS 1 1 Drop Generation in Controlled Fluid Flows 3Elena Castro Hernandez, Josefa Guerrero, Alberto Fernandez-Nieves, & Jose M. Gordillo 1.1 Introduction, 3 1.2 Coflow, 4 1.2.1 Problem and Dimensionless Numbers, 4 1.2.2 Dripping and Jetting, 5 1.2.3 Narrowing Jets, 6 1.2.4 Unified Scaling of the Drop Size in Both Narrowing and Widening Regimes, 7 1.2.5 Convective Versus Absolute Instabilities, 9 1.3 Flow Focusing, 12 1.4 Summary and Outlook, 15 References, 15 2 Electric Field Effects 19Francisco J. Higuera 2.1 Introduction, 19 2.2 Mathematical Formulation and Estimates, 20 2.2.1 Conical Meniscus, 22 2.2.2 Cone-to-Jet Transition Region and Beyond, 23 2.2.3 Very Viscous Liquids, 24 2.3 Applications and Extensions, 24 2.3.1 Multiplexing, 24 2.3.2 Coaxial Jet Electrosprays, 25 2.3.3 Electrodispersion in Dielectric Liquid Baths, 26 2.4 Conclusions, 27 References, 27 3 Fluid Flows for Engineering Complex Materials 29Ignacio G. Loscertales 3.1 Introduction, 29 3.2 Single Fluid Micro- or Nanoparticles, 30 3.2.1 Flows Through Micron-Sized Apertures, 31 3.2.2 Microflows Driven by Hydrodynamic Focusing, 33 3.2.3 Micro- and Nanoflows Driven by Electric Forces, 34 3.3 Steady-state Complex Capillary Flows for Particles with Complex Structure, 36 3.3.1 Hydrodynamic Focusing, 36 3.3.2 Electrified Coaxial Jet, 38 3.4 Summary, 39 Acknowledgments, 41 References, 41 SECTION II COLLOIDS IN EXTERNAL FIELDS 43 4 Fluctuations in Particle Sedimentation 45P.N. Segrè 4.1 Introduction, 45 4.2 Mean Sedimentation Rate, 45 4.2.1 Brownian Sedimentation, 46 4.2.2 Non-Brownian Sedimentation, 47 4.3 Velocity Fluctuations, 48 4.3.1 Introduction, 48 Caflisch and Luke Divergence Paradox, 48 4.3.2 Thin Cells and Quasi Steady-State Sedimentation, 49 Hydrodynamic Diffusion, 51 4.3.3 Thick Cells, Time-Dependent Sedimentation, and Stratification, 52 Time-Dependent Sedimentation, 52 Stratification Scaling Model, 54 4.3.4 Stratification Model in a Fluidized Bed, 55 4.4 Summary, 56 References, 57 5 Particles in Electric Fields 59Todd M. Squires 5.1 Electrostatics in Electrolytes, 60 5.1.1 The Poisson–Boltzmann Equation, 61 5.1.2 Assumptions Underlying the Poisson–Boltzmann Equation, 62 5.1.3 Alternate Approach: The Electrochemical Potential, 63 5.1.4 Electrokinetics, 64 5.2 The Poisson–Nernst–Planck–Stokes Equations, 65 5.3 Electro-Osmotic Flows, 66 5.3.1 Alternate Approach: The Electrochemical Potential, 67 5.4 Electrophoresis, 68 5.4.1 Electrophoresis in the Thick Double-Layer Limit, 69 5.4.2 Electrophoresis in the Thin Double-Layer Limit, 69 5.4.3 Electrophoresis for Arbitrary Charge and Screening Length, 71 5.4.4 Concentration Polarization, 72 5.5 Nonlinear Electrokinetic Effects, 75 5.5.1 Induced-Charge Electrokinetics, 75 5.5.2 Dielectrophoresis, 76 5.5.3 Particle Interactions and Electrorheological Fluids, 77 5.6 Conclusions, 77 References, 78 6 Colloidal Dispersions in Shear Flow 81Minne P. Lettinga 6.1 Introduction, 81 6.2 Basic Concepts of Rheology, 82 6.2.1 Definition of Shear Flow, 82 6.2.2 Scaling the Shear Rate, 83 6.2.3 Flow Instabilities, 84 6.3 Effect of Shear Flow on Crystallization of Colloidal Spheres, 86 6.3.1 Equilibrium Phase Behavior, 87 6.3.2 Nonequilibrium Phase Behavior, 87 6.3.3 The Effect on Flow Behavior, 91 6.4 Effect of Shear Flow on Gas–Liquid Phase Separating Colloidal Spheres, 92 6.4.1 Equilibrium Phase Behavior, 92 6.4.2 Nonequilibrium Phase Behavior, 95 6.4.3 The Effect on Flow Behavior, 98 6.5 Effect of Shear Flow on the Isotropic–Nematic Phase Transition of Colloidal Rods, 99 6.5.1 Equilibrium Phase Behavior: Isotropic–Nematic Phase Transition from a Dynamical Viewpoint, 100 6.5.2 Nonequilibrium Phase Behavior of Sheared Rods: Theory, 102 6.5.3 Nonequilibrium Phase Behavior of Sheared Rods: Experiment, 104 6.5.4 The Effect of the Isotropic–Nematic Transition on the Flow Behavior, 107 6.6 Concluding Remarks, 108 References, 109 7 Colloidal Interactions with Optical Fields: Optical Tweezers 111David McGloin, Craig McDonald, & Yuri Belotti 7.1 Introduction, 111 7.2 Theory, 112 7.3 Experimental Systems, 114 7.3.1 Optical Tweezers, 114 7.3.2 Force Measuring Techniques, 116 7.3.3 Radiation Pressure Traps, 120 7.3.4 Beam Shaping Techniques, 121 7.4 Applications, 122 7.4.1 Colloidal Science, 122 7.4.2 Nanoparticles, 123 7.4.3 Colloidal Aerosols, 123 7.5 Conclusions, 125 References, 125 SECTION III EXPERIMENTAL TECHNIQUES 131 8 Scattering Techniques 133Luca Cipelletti, Véronique Trappe, & David J. Pine 8.1 Introduction, 133 8.2 Light and Other Scattering Techniques, 134 8.3 Static Light Scattering, 135 8.3.1 Static Structure Factor, 136 8.3.2 Form Factor, 137 8.4 Dynamic Light Scattering, 138 8.4.1 Conventional Dynamic Light Scattering, 138 8.4.2 Diffusing Wave Spectroscopy, 139 8.4.3 Dynamic Light Scattering from Nonergodic Media, 142 8.4.4 Multispeckle Methods, 143 8.4.5 Time-Resolved Correlation, 143 8.5 Imaging and Scattering, 145 8.5.1 Photon Correlation Imaging, 145 8.5.2 Near Field Scattering, 146 8.5.3 Differential Dynamic Microscopy, 147 References, 148 9 Rheology of Soft Materials 149Hans M. Wyss 9.1 Introduction, 149 9.2 Deformation and Flow: Basic Concepts, 150 9.2.1 Importance of Timescales, 150 9.3 Stress Relaxation Test: Time-Dependent Response, 151 9.3.1 The Linear Response Function G(t), 152 9.4 Oscillatory Rheology: Frequency-Dependent Response, 153 9.4.1 Storage Modulus G′ and Loss Modulus G′′, 153 9.4.2 Relation Between Frequency- and Time-Dependent Measurements, 154 9.5 Steady Shear Rheology, 154 9.6 Nonlinear Rheology, 155 9.6.1 Large Amplitude Oscillatory Shear (LAOS) Measurements, 155 9.6.2 Lissajous Curves and Geometrical Interpretation of LAOS Data, 155 9.6.3 Fourier Transform Rheology, 157 9.7 Examples of Typical Rheological Behavior for Different Soft Materials, 157 9.7.1 Soft Glassy Materials, 157 9.7.2 Gel Networks, 159 9.7.3 Biopolymer Networks: Strain-Stiffening Behavior, 160 9.8 Rheometers, 160 9.8.1 Rotational Rheometers, 160 9.8.2 Measuring Geometries, 160 9.8.3 Stress- and Strain-Controlled Rheometers, 161 9.9 Conclusions, 162 References, 162 10 Optical Microscopy of Soft Matter Systems 165Taewoo Lee, Bohdan Senyuk, Rahul P. Trivedi, & Ivan I. Smalyukh 10.1 Introduction, 165 10.2 Basics of Optical Microscopy, 166 10.3 Bright Field and Dark Field Microscopy, 167 10.4 Polarizing Microscopy, 169 10.5 Differential Interference Contrast and Phase Contrast Microscopies, 170 10.6 Fluorescence Microscopy, 171 10.7 Fluorescence Confocal Microscopy, 172 10.8 Fluorescence Confocal Polarizing Microscopy, 174 10.9 Nonlinear Optical Microscopy, 176 10.9.1 Multiphoton Excitation Fluorescence Microscopy, 176 10.9.2 Multiharmonic Generation Microscopy, 177 10.9.3 Coherent Anti-Stokes Raman Scattering Microscopy, 178 10.9.4 Coherent Anti-Stokes Raman Scattering Polarizing Microscopy, 179 10.9.5 Stimulated Raman Scattering Microscopy, 180 10.10 Three-Dimensional Localization Using Engineered Point Spread Functions, 181 10.11 Integrating Three-Dimensional Imaging Systems With Optical Tweezers, 182 10.12 Outlook and Perspectives, 183 References, 184 SECTION IV COLLOIDAL PHASES 187 11 Colloidal Fluids 189José Luis Arauz-Lara 11.1 Introduction, 189 11.2 Quasi-Two-Dimensional Colloidal Fluids, 190 11.3 Static Structure, 190 11.4 Model Pair Potential, 193 11.5 The Ornstein–Zernike Equation, 195 11.6 Static Structure Factor, 196 11.7 Self-Diffusion, 197 11.8 Dynamic Structure, 198 11.9 Conclusions, 200 Acknowledgments, 200 References, 200 12 Colloidal Crystallization 203Zhengdong Cheng 12.1 Crystallization and Close Packing, 203 12.1.1 van der Waals Equation of State and Hard Spheres as Model for Simple Fluids, 204 12.1.2 The Realization of Colloidal Hard Spheres, 205 12.2 Crystallization of Hard Spheres, 208 12.2.1 Phase Behavior, 208 12.2.2 Equation of State of Hard Spheres, 210 12.2.3 Crystal Structures, 215 12.2.4 Crystallization Kinetics, 218 12.3 Crystallization of Charged Spheres, 229 12.3.1 Phase Behavior, 229 12.3.2 Crystallization Kinetics, 235 12.4 Crystallization of Microgel Particles, 237 12.4.1 Phase Behavior, 238 12.4.2 Crystallization and Melting Kinetics, 238 12.5 Conclusions and New Directions, 241 Acknowledgments, 242 References, 242 13 The Glass Transition 249Johan Mattsson 13.1 Introduction, 249 13.2 Basics of Glass Formation, 250 13.2.1 Basics of Glass Formation in Molecular Systems, 250 13.2.2 Basics of Glass Formation in Colloidal Systems, 252 13.3 Structure of Molecular or Colloidal Glass-Forming Systems, 252 13.4 Dynamics of Glass-Forming Molecular Systems, 254 13.4.1 Relaxation Dynamics as Manifested in the Time Domain, 254 13.4.2 Relaxation Dynamics as Manifested in the Frequency Domain, 256 13.4.3 The Structural Relaxation Time, 258 13.4.4 The Stretching of the Structural Relaxation, 259 13.4.5 The Dynamic Crossover, 259 13.5 Dynamics of Glass-Forming Colloidal Systems, 262 13.5.1 General Behavior, 262 13.5.2 The Structural Relaxation, 263 13.5.3 The Dynamic Crossover, 264 13.5.4 “Fragility” in Colloidal Systems, 265 13.5.5 Glassy “Secondary” Relaxations, 266 13.6 Further Comparisons Between Molecular and Colloidal Glass Formation, 267 13.6.1 Dynamic Heterogeneity, 267 13.6.2 Decoupling of Translational and Rotational Diffusion, 269 13.6.3 The Vibrational Properties and the Boson Peak, 270 13.7 Theoretical Approaches to Understand Glass Formation, 271 13.7.1 Above the Dynamic Crossover: Mode Coupling Theory, 271 13.7.2 Below the Dynamic Crossover: Activated Dynamics, 273 13.8 Conclusions, 275 References, 276 14 Colloidal Gelation 279Emanuela Del Gado, Davide Fiocco, Giuseppe Foffi, Suliana Manley, Veronique Trappe, & Alessio Zaccone 14.1 Introduction: What Is a Gel? 279 14.1.1 An Experimental Summary: How Is a Gel Made? 280 14.2 Colloid Interactions: Two Important Cases, 280 14.2.1 “Strong” Interactions: van der Waals Forces, 280 14.2.2 “Weak” Interactions: Depletion Interactions, 282 14.2.3 Putting It All Together, 285 14.3 Routes to Gelation, 285 14.3.1 Dynamic Scaling, 285 14.3.2 Fractal Aggregation, 287 14.4 Elasticity of Colloidal Gels, 288 14.4.1 Elasticity of Fractal Gels, 288 14.4.2 Deformations and Connectivity, 289 14.5 Conclusions, 290 References, 290 SECTION V OTHER SOFT MATERIALS 293 15 Emulsions 295Sudeep K. Dutta, Elizabeth Knowlton, & Daniel L. Blair 15.1 Introduction, 295 15.1.1 Background, 295 15.2 Processing and Purification, 296 15.2.1 Creation and Stability, 296 15.2.2 Destabilization and Aggregation, 298 15.2.3 Coarsening, 298 15.2.4 Purification: Creaming and Depletion, 299 15.3 Emulsion Science, 300 15.3.1 Microfluidics: Emulsions on a Chip, 300 15.3.2 Dense Emulsions and Jamming, 300 15.3.3 The Jammed State, 301 15.3.4 The Flowing State, 304 15.4 Conclusions, 305 References, 305 16 An Introduction to the Physics of Liquid Crystals 307Jan P. F. Lagerwall 16.1 Overview of This Chapter, 307 16.2 Liquid Crystal Classes and Phases, 308 16.2.1 The Foundations: Long-Range Order, the Nematic Phase, and the Director Concept, 308 16.2.2 Thermotropics and Lyotropics: The Two Liquid Crystal Classes, 308 16.2.3 The Smectic and Lamellar Phases, 311 16.2.4 The Columnar Phases, 313 16.2.5 Chiral Liquid Crystal Phases, 314 16.2.6 Liquid Crystal Polymorphism, 316 16.3 The Anisotropic Physical Properties of Liquid Crystals, 317 16.3.1 The Orientational Order Parameter, 317 16.3.2 Optical Anisotropy, 318 16.3.3 Dielectric, Conductive, and Magnetic Anisotropy and the Response to Electric and Magnetic Fields, 321 16.3.4 The Viscous Properties of Liquid Crystals, 323 16.4 Deformations and Singularities in The Director Field, 325 16.4.1 Liquid Crystal Elasticity, 325 16.4.2 The Characteristic Topological Defects of Liquid Crystals, 327 16.5 The Special Physical Properties of Chiral Liquid Crystals, 330 16.5.1 Optical Activity and Selective Reflection, 330 16.6 Some Examples From Present-Day Liquid Crystal Research, 332 16.6.1 Colloid Particles in Liquid Crystals and Liquid Crystalline Colloid Particles, 333 16.6.2 Biodetection with Liquid Crystals, 333 16.6.3 Templating and Nano-/Microstructuring Using Liquid Crystals, 334 16.6.4 Liquid Crystals for Photovoltaic and Electromechanical Energy Conversion, 334 16.6.5 Lipidomics and the Liquid Crystal Phases of Cell Membranes, 336 16.6.6 Active Nematics, 336 References, 336 17 Entangled Granular Media 341Nick Gravish & Daniel I. Goldman 17.1 Granular Materials, 342 17.1.1 Dry, Convex Particles, 342 17.1.2 Cohesion through Fluids, 343 17.1.3 Cohesion through Shape, 343 17.1.4 Characterize the Rheology of Granular Materials, 344 17.2 Experiment, 345 17.2.1 Experimental Apparatus, 345 17.2.2 Packing Experiments, 346 17.2.3 Collapse Experiments, 346 17.3 Simulation, 348 17.3.1 Random Contact Model of Rods, 348 17.3.2 Packing Simulations, 350 17.4 Conclusions, 352 Acknowledgments, 352 References, 352 18 Foams 355Reinhard Ḧohler & Sylvie Cohen-Addad 18.1 Introduction, 355 18.2 Equilibrium Structures, 356 18.2.1 Equilibrium Conditions, 356 18.2.2 Geometrical and Topological Properties, 358 18.2.3 Static Bubble Interactions, 358 18.3 Aging, 359 18.3.1 Drainage, 359 18.3.2 Coarsening, 360 18.3.3 Coalescence, 361 18.4 Rheology, 361 18.4.1 Elastic Response, 361 18.4.2 Linear Viscoelasticity, 362 18.4.3 Yielding and Plastic Flow, 363 18.4.4 Viscous Flow, 364 18.4.5 Rheology near the Jamming Transition, 365 References, 366 SECTION VI ORDERED MATERIALS IN CURVED SPACES 369 19 Crystals and Liquid Crystals Confined to Curved Geometries 371Vinzenz Koning, & Vincenzo Vitelli 19.1 Introduction, 371 19.2 Crystalline Solids and Liquid Crystals, 373 19.3 Differential Geometry of Surfaces, 373 19.3.1 Preliminaries, 373 19.3.2 Curvature, 374 19.3.3 Monge Gauge, 375 19.4 Elasticity on Curved Surfaces and in Confined Geometries, 375 19.4.1 Elasticity of a Two-Dimensional Nematic Liquid Crystal, 375 19.4.2 Elasticity of a Two-Dimensional Solid, 376 19.4.3 Elasticity of a Three-dimensional Nematic Liquid Crystal, 377 19.5 Topological Defects, 377 19.5.1 Disclinations in a Nematic, 377 19.5.2 Disclinations in a Crystal, 378 19.5.3 Dislocations, 378 19.6 Interaction Between Curvature and Defects, 379 19.6.1 Coupling in Liquid Crystals, 379 19.6.2 Coupling in Crystals, 379 19.6.3 Screening by Dislocations and Pleats, 381 19.6.4 Geometrical Potentials and Forces, 381 19.7 Nematics in Spherical Geometries, 381 19.7.1 Nematic Order on the Sphere, 381 19.7.2 Beyond Two Dimensions: Spherical Nematic Shells, 382 19.8 Toroidal Nematics, 383 19.9 Concluding Remarks, 383 References, 383 20 Nematics on Curved Surfaces – Computer Simulations of Nematic Shells 387Martin Bates 20.1 Introduction, 387 20.2 Theory, 388 20.3 Experiments on Spherical Shells, 389 20.3.1 Nematics, 389 20.3.2 Smectics, 391 20.4 Computer Simulations – Practicalities, 392 20.4.1 Introduction, 392 20.4.2 Monte Carlo Simulations, 393 20.5 Computer Simulations of Nematic Shells, 395 20.5.1 Spherical Shells, 395 20.5.2 Nonspherical Shells, 397 20.6 Conclusions, 399 References, 401 Index 403

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Book SynopsisThis encyclopedia offers a comprehensive and easy reference to physical organic chemistry (POC) methodology and techniques. Topics covered include not only traditional POC like reaction kinetics and mechanisms, but also subjects in many other related fields where the principles of POC have been widely implemented.Trade Review"This encyclopedia will provide advanced chemistry researchers with a thorough foundation from which to build a literature review"C. M. Dalzell, Quinnipiac University CHOICE Sept 17Table of ContentsVolume 1 List of Contributors xiii Preface xxv Part 1 Basic Terms and Theories 1 1 Symmetry, Pseudosymmetry, Spectroscopy, and Molecular Structure 3 Robert Glaser 2 Stereoelectronic Effects on Structure and Reactivity of Organic Molecules: Origins and Consequences 67 Igor V. Alabugin and Brian Gold 3 Steric Strain in Molecular Organics 161 Lei Yang, Linghai Xie, Ying Wei, Yuyu Liu, Murali Devi and Wei Huang 4 Strong Chemical Bonds 217 Rafael Notario 5 Noncovalent Interactions: Calculations, Classification, and Benchmark Data Sets 245 Jan Rˇezácˇ and Pavel Hobza 6 Quantum Mechanics and Molecular Orbital Theory: From Basic Principles to Quantum Chemistry 277 Patrizia Calaminici, Andreas M. Köster and Karl Jug 7 Basic Elements of Chemical and Statistical Thermodynamics 315 Boris Solomonovand Timur Mukhametzyanov 8 Practical Chemical Kinetics in Solution 369 Omar A. El Seoud, Wilhelm J. Baader and Erick L. Bastos 9 Fundamental Aspects of Quantitative Structure–Reactivity Relationships 437 Frank H. Quina and Erick L. Bastos 10 General Aspects of Redox Chemistry 491 Felipe J. González, Carlos Frontana, Martín Gómez and Ignacio González 11 Aromaticity 511 Miquel Solă 12 Molecule–Medium Relationships 543 Plamen Kirilov 13 Vapor Pressure and Boiling Point 579 Rogdakis Emmanouil and Koronaki P. Irene 14 Log P 629 Supriyo Saha and Dilipkumar Pal 15 Physical Properties: Surface Tension and Capillarity 651 Rossen Sedev 16 Solubility and Miscibility for Diluted Polymers and Their Extension to Organic Semiconductors 697 Jose Dario Perea Ospina, Stefan Langner Tayebeh Ameri and Christoph J. Brabec Volume 2 List of Contributors xiii Preface xxv Part 2 Organic Reactions and Mechanisms 735 17 Organic Solid-State Reactions 737 Gerd Kaupp 18 Pericyclic Reactions 817 Dean J. Tantillo 19 Radical Reactions 849 Rana K. Mohamed, Igor V. Alabugin and Philip M. Byers 20 Photoreactions 943 Michael Oelgemöller and Norbert Hoffmann 21 Reactions Under Ultrasound 1009 Hélio A. Stefani and Rodrigo Cella 22 Reactions in the Magnetic Field 1035 Masanobu Wakasa, Tomoaki Yago, Atom Hamasaki and Masao Gohdo 23 Oscillating Reactions 1127 Ljiljana Kolar-Anić, Slobodan Anić, Željko Ćupic´, Ana Ivanovic´-Šašić, Nataša Pejić, Slavica Blagojević and Vladana Vukojević 24 Small Organic Molecule-Catalyzed Reactions 1223 Bor-Cherng Hong 25 Intramolecular Catalysis of Organic Reactions 1299 C.-Y. Ho and L. Xiang 26 Green Chemistry: Challenges and Opportunities 1365 W. Roy Jackson, Eva M. Campi and Milton T. W. Hearn 27 Reactions in Ionic Liquids 1411 Sinead T. Keaveney, Ronald S. Haines and Jason B. Harper Volume 3 List of Contributors xiii Preface xxv Part 2 Organic Reactions and Mechanisms (Continued) 1465 28 Reactions in Fluorous Solvents 1467 Hiroshi Matsubara Part 3 Molecular Designs and Syntheses 1527 29 Molecular Interaction and Recognition 1529 Kevin Daze and Fraser Hof 30 Molecular Modeling 1581 Damien Thompson 31 Function-Oriented Molecular Design: Crown Ether 1625 Tetsuo Okada 32 Function-Oriented Molecular Design: Cryptand 1699 Mari Ikeda, Shunsuke Kuwahara and Yoichi Habata 33 Cyclodextrin-Based Functional Materials and Surfaces 1793 Mohamed El Idrissi, Negar Moridi and Patrick Shahgaldian 34 Function-Oriented Molecular Design: Calix[n]Arenes 1825 Hu Shu-Zhen, Han Ying and Chen Chuan-Feng 35 Function-Oriented Molecular Design: Fullerenes and Related Carbon Materials 1857 Fa-Bao Li and Guan-Wu Wang 36 Function-Oriented Molecular Design: Dendrimer 1933 Jitendra Satija and Soumyo Mukherji 37 Molecular Functionalization of Interfaces between Different Phases from the Standpoint of Functional Interface Engineering 1989 Tetsuya Haruyama 38 Function-Oriented Molecular Design: Nucleic Acids 2009 Lorenzo Di Bari and Maria Minunni 39 Multivariate QSAR 2041 Márcia M. C. Ferreira 40 Design of Organic Magnetic Materials 2079 Jin Y. Lee, Kyoung C. Ko and Daeheum Cho 41 Design of Conducting and Superconducting Organic Molecules 2133 Jun-ichi Yamada and Hiroyuki Nishikawa Volume 4 List of Contributors xiii Preface xxv Part 3 Molecular Designs and Syntheses (Continued) 2189 42 Physical and Chemical Principles in Molecular Electronics 2191 Adam Johan Bergren and Gino DiLabio 43 Self-Assembly in Molecular Design 2233 Miu S. Chan, Man S. Wong and Pik K. Lo 44 Deciphering a Synthetic Strategy–the Art and Beauty of Organic Synthesis 2273 Jakub Pie˛Ta, Piotr Drelich, Artur Przydacz, Anna Albrecht and Łukasz Albrecht 45 Asymmetric Synthesis in Medicinal Chemistry 2331 Smritilekha Bera and Dhananjoy Mondal 46 Strained Organic Molecules 2481 Tien-Yau Luh, Man-Kit Leung, Yao-Ting Wu and Liangbing Gan 47 Supramolecular Chemistry: Synthesis and Photophysical Characteristics of Conjugated Polyrotaxanes 2543 Aurica Farcas and Ana-Maria Resmerita 48 Electrochemical Studies of Conjugated Polyrotaxanes and their Unthreaded Analogs 2583 Aurica Farcas and Pierre-Henri Aubert 49 Advances in Photocatalysis Over Highly Dispersed Ti Oxides in Sio2 Mesoporous Materials 2619 Mingyang Xing, Xiao Li, Jinlong Zhang and Masakazu Anpo Part 4 Tools and Experimental Techniques 2669 50 Semiempirical and Molecular Mechanics Treatment of Noncovalent Interactions 2671 Nusret Duygu Yilmazer and Martin Korth 51 Electron Densities: Population Analysis and Beyond 2705 Renato Contreras, Luis R. Domingo and Bernard Silvi 52 NMR Spectroscopy 2819 Xingyu Lu and Guangjin Hou 53 Methods of Magnetic Resonance in Studying Natural Biomaterials 2861 Victor Rodin Volume 5 List of Contributors xiii Preface xxv Part 4 Tools and Experimental Techniques (Continued) 2909 54 Electron Paramagnetic Resonance Spectroscopy 2911 Sabrina Weickert and Malte Drescher 55 Electrical Discharges 2957 Mário Janda, Zdenko Machala, Ravindra P. Joshi, Lev Krasnoperov and Selma Mededovic Thagard 56 Fluorescence Spectroscopy: From Classical Aspects to Current Trends 3011 Mihaela Homocianu 57 Laser Flash Photolysis 3059 Xian-Fu Zhang 58 Light-Induced Excited Spin State Trapping 3083 Ivan Šalitroš and Ján Pavlik 59 Electron Energy Loss Spectroscopy 3181 Diana F. Garcia-Gutierrez, Lina M. De Leon-Covian and Domingo I. Garcia-Gutierrez 60 Energy-Dispersive X-ray Spectroscopy: Theory and Application in Engineering and Science 3217 Joseph Hamuyuni, Michael O. Daramola and Olugbenga O. Oluwasina 61 X-ray Photoelectron Spectroscopy 3241 Joanna S. Stevens and Sven L. M. Schroeder 62 Other Scanning Probe Microscopies 3295 Yuanmin Du, Swee Liang Wong, Yuli Huang, Johnny Ping Kwan Wong and Andrew Thye Shen Wee 63 Cyclic Voltammetry 3437 Lida Khalafi and Mohammad Rafiee Part 5 Applications and Future Directions 3479 64 Semiconducting Organic Molecules 3481 Maria Vasilopoulou 65 Organic Field-Effect Transistors 3565 Martin Weis 66 Organic Molecules for Application of Engineering Thermodynamics: Refrigeration and Organic Rankine Cycle 3605 Xinxin Zhang Volume 6 List of Contributors xiii Preface xxv Part 5 Applications and Future Directions (Continued) 3651 67 Conversion of Biomass to Biofuels 3653 Aleksei Bredihhin and Lauri Vares 68 Nanocatalysis 3697 Haichao Liu, Jing Guan, Xindong Mu, Guoqiang Xu, Xicheng Wang and Xiufang Chen 69 Sustainable Catalysis 3773 Harminder Singh and Jaspreet Kaur Rajput 70 Artificial Photosynthesis 3813 Lei Liu and Jin-Gang Liu 71 Artificial Enzymes: The Next Wave 3885 Hanjun Cheng, Xiaoyu Wang and Hui Wei 72 Glycobiology 3949 Gherman Y. Wiederschain 73 DNA-Interacting Molecules and Cancer Treatments 3993 Gunjan Tyagi, Parul Mehrotra, Shweta Agarwal and Ranjana Mehrotra 74 Porous Organic Materials from Self-Assembly of Peptides and Polyamides 4089 Debasish Haldar 75 Precision Synthesis of Polysaccharides and their Supramolecular and Nanostructured Materials by Enzymatic Reactions 4137 Jun-ichi Kadokawa Index 4181

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Book SynopsisProvides detailed methods to reduce or eliminate damage caused by corrosion. This book explains the human and environmental costs of corrosion, its causes and various types of corrosion. It summarizes the costs of corrosion in different industries, including bridges, mining, petroleum refining, chemical, petrochemical, and pharmaceutical.Table of ContentsPreface xvii Acknowledgments xix 1 Introduction and Forms of Corrosion 1 1.1 General or Uniform or Quasi-Uniform Corrosion 1 1.2 Galvanic Corrosion 4 1.2.1 Factors involved in Galvanic Corrosion 8 1.2.2 Galvanic Series and Corrosion 9 1.2.3 The Nature of the Metal/Solution Interface 10 1.2.4 Polarization of the Galvanic Cell 10 1.2.5 Testing of Galvanic Corrosion 13 1.3 Stray Current Corrosion 13 1.4 Localized Corrosion 14 1.4.1 Pitting Corrosion 15 1.4.2 Poultice Corrosion 17 1.4.3 Crevice Corrosion 17 1.4.4 Filiform Corrosion 18 1.4.5 Breakdown of Passivation 19 1.4.6 Coatings and Localized Corrosion 20 1.4.7 Electrochemical Studies of Localized Corrosion 20 1.4.8 Potentiostatic Methods 22 1.4.9 Prevention of Localized Corrosion 22 1.4.10 Corrosion Tests 23 1.4.11 Changes in Mechanical Properties 23 1.4.12 Electrochemical Techniques for the Study of Localized Corrosion 24 1.4.13 Electrochemical Impedance and Localized Corrosion 24 1.4.14 The SRET 25 1.5 Metallurgically Influenced Corrosion 25 1.5.1 The Influence of Metallurgical Properties in Aqueous Media 25 1.6 Microbiologically Influenced Corrosion (MIC) 36 1.6.1 Growth and Metabolism 36 1.6.2 Environments 37 1.6.3 Biological Corrosion in Freshwater Environments 37 1.6.4 Biological Corrosion in Marine Environments 37 1.6.5 Industries Affected 38 1.6.6 Role of Some Microbiological Species in Corrosion 38 1.6.7 Attack by Organisms Other than SRB 39 1.6.8 Production of Biofilms 40 1.6.9 Production of Sulfides 41 1.6.10 Formation of Organic and Inorganic Acids 41 1.6.11 Gases from Organisms 41 1.6.12 MIC of Materials 41 1.6.13 Wood and Polymers 41 1.6.14 Hydrocarbons 42 1.6.15 Types of Corrosion of Metals and Alloys 42 1.6.16 Microbiological Impacts and Testing 43 1.6.17 Recognition of Microbiological Corrosion 43 1.7 Mechanically Assisted Corrosion 44 1.7.1 Corrosion and Wear 44 1.7.2 Abrasion 45 1.7.3 Wear Impact 45 1.7.4 Corrosion Effects 46 1.7.5 Wear Damage Mechanisms 46 1.7.6 Adhesive Wear 46 1.7.7 Abrasive Wear 47 1.7.8 Fatigue Wear 47 1.7.9 Impact Wear 47 1.7.10 Chemical or Corrosive Wear 48 1.7.11 Oxidative Wear 49 1.7.12 Electric-Arc-Induced Wear 50 1.7.13 Erosion–Corrosion 50 1.7.14 Impingement 51 1.7.15 Effect of Turbulence 52 1.7.16 Galvanic Effect 52 1.7.17 Water Droplet Impingement Erosion 52 1.7.18 Cavitation 53 1.7.19 Cavitation Erosion 53 1.7.20 Impacting Bubbles 54 1.7.21 Prevention 55 1.7.22 Fretting Corrosion 55 1.7.23 Mechanism of Fretting Corrosion 56 1.7.24 Modeling Fretting Corrosion 57 1.7.25 Fretting CF 58 1.7.26 Prevention of Fretting Wear 58 1.7.27 Testing 59 1.7.28 Measurement of Wear and Corrosion 59 1.7.29 Galling Stress 59 1.7.30 CF 59 1.7.31 Morphology of CF Ruptures 60 1.7.32 Important Factors of CF 61 1.7.33 Stresses 61 1.7.34 Stress Ratio 62 1.7.35 Material Factors 62 1.7.36 Mechanism of CF 63 1.7.37 Crack Initiation 64 1.7.38 Crack Propagation 65 1.7.39 Prevention of CF 66 1.8 Environmentally Induced Cracking (EIC) 67 1.8.1 Testing of CF 67 1.8.2 Types of Tests 68 1.8.3 Sampling in CF Tests 68 1.8.4 SCC 69 1.8.5 Morphology 70 1.8.6 Some Key Factors of SCC 71 1.8.7 Material Properties in SCC 72 1.8.8 Potential–pH Diagram and SCC 72 1.8.9 Active–Passive Behavior and Susceptible Zone of Potentials 73 1.8.10 Electrode Potential and its Effect on Crack Growth 74 1.8.11 Prevention of Hydrogen Damage 87 References 89 2 Corrosion Costs 95 2.1 Introduction 95 2.2 Data Collection and Economic Analysis 96 2.2.1 The Uhlig Report (United States of America 1949) 96 2.2.2 The Hoar Report (United Kingdom 1970) 96 2.2.3 Report of the Committee on Corrosion and Protection (Japan 1977) 100 2.2.4 The Battelle-NBS Report (United States, 1978) 102 2.2.5 The Economics of Corrosion in Australia 108 2.2.6 Kuwait (1995) 114 2.2.7 Costs of Corrosion in Other Countries 115 2.3 Tribology 123 2.3.1 Economies of Wear and Corrosion in the Canadian Industry 123 2.3.2 Strategies Against Wear and Friction 124 References 126 3 Corrosion Causes 127 3.1 Introduction 127 3.2 Corrosion in Conventional Concrete Bridges 127 3.3 Corrosion of Prestressed Concrete Bridges 127 3.4 Reinforcement Corrosion in Concrete 128 3.5 Mechanism of Corrosion and Assessment Techniques in Concrete 128 3.5.1 Chloride Ingress and the Corrosion Threshold 128 3.5.2 Carbonation of Concrete and Corrosion 129 3.5.3 Conventional Reinforced Concrete 130 3.6 Steel Bridges 133 3.7 Cable and Suspension Bridges 133 3.8 Corrosion of Underground Pipelines 135 3.8.1 Types of Corrosion of Underground Pipelines 136 3.8.2 Replacement/Rehabilitation 140 3.8.3 Pipeline Integrity Management Programs 141 3.8.4 In-line Inspections 141 3.8.5 Aging Coating 141 3.8.6 Stress Corrosion Cracking 141 3.8.7 Corrosion-Related Failures 142 3.9 Waterways and Ports 143 3.9.1 Areas of Major Corrosion Impact 143 3.9.2 Fresh Water 144 3.10 Hazardous Materials Storage 145 3.10.1 Aboveground Storage Tanks 145 3.10.2 Underground Fuel Storage Tanks 148 3.11 Corrosion Problems in Airports 148 3.12 Railroads 149 3.13 Gas Distribution 150 3.13.1 Pipe Failures 151 3.14 Drinking Water and Sewer Systems 152 3.14.1 External Corrosion in Water Systems 153 3.15 Electrical Utilities 154 3.15.1 Fossil Fuel Steam Supply Systems 154 3.15.2 Hydraulic Plants 156 3.15.3 Areas of Major Corrosion Impact on Electric Utility Systems 157 3.16 Telecommunications 157 3.16.1 Shelters 158 3.17 Motor Vehicles 160 3.17.1 Corrosion Causes 160 3.18 Ships 161 3.19 Aircraft 162 3.19.1 Corrosion Modes 162 3.20 Railroad Cars 164 3.21 Hazardous Materials Transport 167 3.22 Oil and Gas Exploration and Production 170 3.23 Corrosion in the Mining Industry 172 3.23.1 Wire Rope 173 3.24 Petroleum Refining 174 3.24.1 Areas of Major Corrosion Impact 175 3.24.2 Water-Related Corrosion 175 3.24.3 Processing-Related Corrosion 175 3.24.4 Naphthenic Acid Corrosion 175 3.24.5 Corrosion-Related Failure in Refineries 176 3.25 Chemical Petrochemical and Pharmaceutical Industries 177 3.26 Pulp and Paper Industry 179 3.27 Agricultural Production 181 3.28 The Food Processing Sector 182 3.29 Electronics 183 3.30 Corrosion Problems in Home Appliances 186 3.30.1 High-Efficiency Furnaces 187 3.30.2 Air Conditioners 187 3.31 Corrosion Problems in the US Dept. of Defense 188 3.31.1 Weapon Systems 188 3.31.2 Army 189 3.31.3 Vehicles 189 3.31.4 Case Study of HMMWV 190 3.31.5 Helicopters 192 3.31.6 Air Force 193 3.31.7 KC-135 Stratotanker 193 3.31.8 Navy 195 3.31.9 Submarines 196 3.31.10 Aircraft 197 3.32 Nuclear Waste Storage 197 3.32.1 Transition from Interim Storage to Permanent Storage 198 3.32.2 Cask Design for Permanent Storage 199 3.32.3 Effect of Location on Corrosion of Nuclear Storage Containers 199 References 200 4 Corrosion Control and Prevention 205 4.1 Introduction 205 4.2 Protective Coatings 205 4.2.1 Organic Coatings 206 4.2.2 Metallic Coatings 212 4.3 Metals and Alloys 214 4.4 Corrosion Inhibitors 216 4.4.1 Petroleum Production Transportation and Refining 217 4.4.2 Pulp and Paper 218 4.4.3 Iron and Steel 218 4.4.4 Additives 218 4.4.5 Deicers 219 4.5 Engineering Composites and Plastics 219 4.5.1 Composites 219 4.5.2 Polyethylene 220 4.5.3 Fluoropolymers 221 4.6 Cathodic and Anodic Protection 221 4.7 Services 222 4.8 Research and Development 223 4.9 Corrosion Control of Bridges 223 4.9.1 Reinforced Concrete Bridges 223 4.9.2 Steel Bridges 237 4.10 Mitigating Corrosion of Reinforcing Steel in Underwater Tunnels (36) 244 4.11 Corrosion of Underground Gas and Liquid Transmission Pipelines 244 4.11.1 Stray Current Corrosion 245 4.11.2 Microbiologically Influenced Corrosion (MIC) 245 4.11.3 Mitigation of External Corrosion 247 4.11.4 Operations and Maintenance 248 4.11.5 Cost of Operation and Maintenance (Corrosion Control) 250 4.11.6 Aging Coating 251 4.11.7 Stress Corrosion Cracking (SCC) 251 4.12 Gas Distribution 254 4.12.1 Pipe Failures 255 4.12.2 Plastic Pipe 255 4.13 Waterways and Ports 255 4.14 Hazardous Materials Storage 257 4.14.1 Nuclear Waste Storage 257 4.15 Corrosion Control of Storage Tanks 260 4.15.1 Aboveground Storage Tanks–Internal Coatings 260 4.15.2 Aboveground Storage Tanks–External Coatings 262 4.15.3 Aboveground Storage Tanks–Cathodic Protection 262 4.15.4 Underground Storage Tanks–Corrosion Control 262 4.15.5 Underground Storage Tanks–Cathodic Protection 263 4.15.6 Polymer Tanks 263 4.16 Airports 263 4.17 Railroads 264 4.17.1 Corrosion of Railroad Cars 264 4.18 Drinking Water and Sewer Systems 265 4.18.1 Corrosion Control in the Water Supply 265 4.18.2 Corrosion Control in Water Treatment Facilities 265 4.18.3 Corrosion Inhibitors pH Control and Alkalinity Adjusters 266 4.18.4 Corrosion Control in Water Storage Systems 268 4.18.5 Corrosion Control in Water Transmission Systems 269 4.18.6 Corrosion Control in Water Distribution Systems 271 4.18.7 Corrosion Control in Sewage Water Systems 273 4.18.8 Optimized Management by Combining Corrosion Control Methods 273 4.19 Electric Utilities 275 4.20 Telecommunications 275 4.21 Motor Vehicles 277 4.22 Ships 281 4.22.1 Design 281 4.23 Corrosion Control in Aircraft 286 4.23.1 Material Selection 287 4.23.2 Coating Selection 287 4.23.3 Drainage 287 4.23.4 Sealants 288 4.24 Hazardous Materials Transport (HAZMAT) 288 4.25 Oil and Gas Exploration and Production 289 4.26 Corrosion and its Prevention in the Mining Industry 292 4.27 Petroleum Refining 293 4.28 Corrosion Control in the Chemical Petrochemical and Pharmaceutical Industries 295 4.28.1 Corrosion-Resistant Alloys 296 4.28.2 Piping Design Factors 297 4.28.3 Construction Stage Checks 298 4.28.4 Remedial Action and Diagnostic Analysis 300 4.29 Pulp and Paper Industrial Sector 300 4.29.1 Equipment Design 300 4.29.2 Process Design and Corrosion Inhibitors 301 4.29.3 Weight Loss Coupons 301 4.29.4 Inspection and Preventive Maintenance 301 4.30 Agricultural Production 302 4.30.1 Keeping Equipment Clean/Dry 302 4.30.2 Material Selection 302 4.30.3 External Coatings/Paint 303 4.30.4 Internal Linings 303 4.30.5 Cathodic Protection 303 4.31 Food Processing 303 4.32 Corrosion Forms in the Electronics Industry 304 4.32.1 Cathodic Corrosion 304 4.32.2 Pore-Creep in Electrical Contacts and Metallic Joints 305 4.32.3 Fretting Corrosion of Separate Connectors with Tin Finishes 305 4.32.4 Galvanic Corrosion 305 4.32.5 Micropitting on Aluminum 305 4.32.6 Corrosion of Aluminum in Chlorinated Media 306 4.32.7 Solder Corrosion 306 4.32.8 Corrosion of Magnetic and Magneto-Optic Devices 306 4.33 Home Appliances 306 4.33.1 Corrosion Control by Sacrificial Anodes 306 4.33.2 Corrosion Control by Corrosion-Resistant Materials 307 4.33.3 Corrosion Control by Coatings and Paint 308 4.34 Defense 308 4.34.1 Army 308 4.34.2 Navy 311 4.34.3 Air Force 311 4.35 Preventive Strategies 312 References 313 5 Consequences of Corrosion 317 5.1 Introduction 317 5.2 Corrosion Studies 317 5.2.1 The Battelle-NBS Study 317 5.3 Corrosion Damage Defects and Failures 325 5.3.1 Point Defects 326 5.3.2 Line Defects 327 5.3.3 Planar and Surface Defects 327 5.3.4 Bulk Defects 327 5.3.5 Fault 327 5.3.6 Connector Corrosion 327 5.3.7 Failure 328 5.4 Age-Reliability Characteristics 389 5.5 Historical Implications of Corrosion 390 5.6 Social Implications of Corrosion 392 5.7 The Nuclear Industry 392 5.8 Fossil Fuel Energy Systems 393 5.9 The Aerospace Industry 393 5.10 The Electrical and Electronics Industry 393 5.11 The Marine and Offshore Industry 394 5.12 The Automobile Industry 395 5.13 Bridges 395 5.14 Biomedical Engineering 397 5.15 The Defense Industry 397 5.16 Corrosion and Environmental Implications 397 References 398 Index 403

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Book SynopsisThis volume of Inorganic Syntheses spans the preparations of wide range of important inorganic, organometallic and solid-state compounds. The volume is divided into 6 chapters. The first chapter contains the syntheses of some key early transition metal halide clusters and the very useful mononuclear molybdenum(III) synthon, MoCl3(THF)3. Chapter 2 covers the synthesis of a number of cyclopentadienyl compounds, including a novel route to sodium and potassium cyclopentadienide, MC5H5. Chapter 3 details synthetic procedures for a range of metal-metal bonded compounds, including several with metal-metal multiple bonds. Chapter 4 contains procedures for a range of early and late transition metal compounds, each a useful synthon for further synthetic elaboration. Chapter 5 deals with the synthesis of a number of main group compounds and ligands, while Chapter 6 covers teaching laboratory experiments.Table of ContentsPreface v Dedication vii Notice to Contributors and Checkers xv Toxic Substances and Laboratory Hazards xvii Chapter One TRANSITION METAL HALIDE COMPOUNDS 1 1. Octahedral Hexatantalum Halide Clusters 1 A. Tetradecachlorohexatantalum Octahydrate 3 B. Tetradecabromohexatantalum Octahydrate 4 C. Tetrakis(benzyltributylammonium) Octadecachlorohexatantalate 5 2. Octahedral Hexamolybdenum Halide Clusters 8 A. Tetradecachlorohexamolybdate Hexahydrate (Chloromolybdic Acid) 10 B. Hexamolybdenum Dodecachloride 12 3. Ether Complexes of Molybdenum(III) and Molybdenum(IV) Chlorides 15 A. Tetrachlorobis(diethyl ether)molybdenum(IV) 16 B. Trichlorotris(tetrahydrofuran)molybdenum(III) 17 4. Octahedral Hexatungsten Halide Clusters 19 A. Bis(hydroxonium) Tetradecachlorohexatungstate Heptahydrate (Chlorotungstic Acid) 21 B. Hexatungsten Dodecachloride 22 5. Trinuclear Tungsten Halide Clusters 24 A. Tritungsten Decachloride 26 B. Trisodium Tridecachlorotritungstate 27 C. Tris(benzyltributylammonium) Tridecachlorotritungstate 28 6. Crystalline and Amorphous Forms of Tungsten Tetrachloride 30 A. Crystalline Tungsten Tetrachloride by Solid-State Reduction 32 B. Amorphous Tungsten Tetrachloride by Solution-Phase Reduction 33 Chapter Two CYCLOPENTADIENYL COMPOUNDS 35 7. Sodium and Potassium Cyclopentadienide 35 A. Sodium Cyclopentadienide 36 B. Potassium Cyclopentadienide 37 8. (Pentafluorophenyl)cyclopentadiene and its Sodium Salt 38 A. (Pentafluorophenyl)cyclopentadiene 39 B. Sodium (Pentafluorophenyl)cyclopentadienide 41 9. Bis(η5-pentamethylcyclopentadienyl) Complexes of Scandium 42 A. Bis(η5-pentamethylcyclopentadienyl)chloroscandium 43 B. Bis(η5-pentamethylcyclopentadienyl)methylscandium 44 C. Bis(η5-pentamethylcyclopentadienyl)phenylscandium 45 D. Bis(η5-pentamethylcyclopentadienyl)(o-tolyl)scandium 46 10. Bis(η5-pentamethylcyclopentadienyl) Complexes of Titanium, Zirconium, and Hafnium 47 A. Bis(η5-pentamethylcyclopentadienyl)dichlorotitanium(IV) 47 B. Bis(η5-pentamethylcyclopentadienyl)dichlorozirconium(IV) 49 C. Bis(η5-pentamethylcyclopentadienyl)dichlorohafnium(IV)50 11. Bis(η5-pentamethylcyclopentadienyl) Complexes of Niobium and Tantalum 52 A. Bis(η5-pentamethylcyclopentadienyl)dichlorotantalum(IV) 53 B. Bis(η5-pentamethylcyclopentadienyl)dichloroniobium(IV) 55 12. Bis(η5-pentamethylcyclopentadienyl) Complexes of Molybdenum 58 A. Bis(pentamethylcyclopentadienyl)dichloromolybdenum(IV) 59 B. Bis(pentamethylcyclopentadienyl)dihydridomolybdenum(IV) 61 13. (η5-Cyclopentadienyl)tricarbonylmanganese(I) Complexes 62 A. (η5-Cyclopentadienyl)tricarbonylmanganese(I) 63 B. (η5-Pentamethylcyclopentadienyl)tricarbonylmanganese(I) 63 14. 1,10-Diaminoferrocene 65 A. 1,10-Dilithioferrocene N,N,N0,N0-Tetramethylethylenediamine 66 B. 1,10-Dibromoferrocene 67 C. One-Pot Preparation of 1,10-Dibromoferrocene from Ferrocene 68 D. 1,10-Diaminoferrocene 69 E. 1,10-Diaminoferrocenium Hexafluorophosphate 70 F. 1,10-Diaminoferrocenium Triflate 71 15. Mono(η5-pentamethylcyclopentadienyl) Complexes of Osmium 72 A. Bromoosmic Acid 74 B. Bis(η5-pentamethylcyclopentadienyl)tetrabromodiosmium(III) 75 C. (η5-Pentamethylcyclopentadienyl)(1,5-cyclooctadiene)-bromoosmium(II) 76 Chapter Three COMPOUNDS WITH METAL–METAL BONDS 78 16. Tetra(acetato)dimolybdenum(II) 78 17. Supramolecular Arrays Based on Dimolybdenum Building Blocks 81 A. Tetrakis(N,N0-di-p-anisylformamidinato)dimolybdenum(II) 84 B. Tris(N,N0-di-p-anisylformamidinato)di(chloro)-dimolybdenum(II,III) 86 C. cis-Bis(N,N0-di-p-anisylformamidinato)tetrakis(acetonitrile)-dimolybdenum(II) Bis(tetrafluoroborate) 87 D. (μ2-Succinato)bis[tris(N,N0-di-p-anisylformamidinato)-dimolybdenum(II)] 88 E. (μ2-η2,η2-Molybdato)bis[tris(N,N0-di-p-anisylformamidinato)-dimolybdenum(II)] 89 F. (μ2-N,N0-Diphenylterephthaloyldiamidato)bis[tris(N,N0-di-panisylformamidinato) dimolybdenum(II)] 90 G. Molecular Propeller: (μ3-Trimesate)tris[tris(N,N0-di-panisylformamidinato) dimolybdenum(II)] 91 H. Molecular Loop: closo-Bis(μ2-malonato)bis[bis(N,N0-di-panisylformamidinato) dimolybdenum(II)] 92 I. Molecular Triangle: closo-Tris(μ2-eq,eq-1,4-cyclohexanedicarboxylato) tris[bis(N,N0-di-p-anisylformamidinato)-dimolybdenum(II)]92 J. Molecular Square: closo-Tetrakis(μ2-oxalato)tetrakis[bis(N,N0-di-p-anisylformamidinato)dimolybdenum(II)] 93 K. Molecular Cage: closo-Tetrakis(μ3-trimesate)hexakis[bis(N,N0-di-p-anisylformamidinato)dimolybdenum(II)] 94 18. Dimolybdenum and Ditungsten Hexa(alkoxides) 95 A. Hexa(tert-butoxy)dimolybdenum(III) 96 B. Hexakis(2-trifluoromethyl-2-propoxy)dimolybdenum(III) 97 C. Sodium Heptachloropentakis(tetrahydrofuran)ditungstate(III) 98 D. Hexa(tert-butoxy)ditungsten(III) 99 E. Hexakis(2-trifluoromethyl-2-propoxy)ditungsten(III) 100 19. Linear Trichromium, Tricobalt, Trinickel, and Tricopper Complexes of 2,20-Dipyridylamide 102 A. Dichlorotetrakis(2,20-dipyridylamido)trichromium(II) 103 B. Dichlorotetrakis(2,20-dipyridylamido)tricobalt(II) 104 C. Dichlorotetrakis(2,20-dipyridylamido)trinickel(II) 105 D. Dichlorotetrakis(2,20-dipyridylamido)tricopper(II) 106 E. Bis(acetonitrile)tetrakis(2,20-dipyridylamido)trichromium(II) Bis(hexafluorophosphate) 107 F. Bis(acetonitrile)tetrakis(2,20-dipyridylamido)tricobalt(II) Bis(hexafluorophosphate) 108 G. Bis(acetonitrile)tetrakis(2,20-dipyridylamido)trinickel(II) Bis(hexafluorophosphate) 108 20. Bis(tetrabutylammonium) Octachloroditechnetate(III) 110 A. Tetrabutylammonium Pertechnetate(VII) 111 B. Tetrabutylammonium Oxotetrachlorotechnetate(V) 112 C. Bis(tetrabutylammonium) Octachloroditechnetate(III) 112 21. Diruthenium Formamidinato Complexes 114 A. Chlorotris(acetato)(N,N0-di-2,6-xylylformamidinato)-diruthenium(II,III) 115 B. trans-Chlorobis(acetato)bis(N,N0-di-2,6-xylylformamidinato)-diruthenium(II,III) 117 C. cis-Chlorobis(acetato)bis(N,N0-di-p-anisylformamidinato)-diruthenium(II,III) 118 D. Chloro(acetato)tris(N,N0-di-p-anisylformamidinato)-diruthenium(II,III) 119 E. Chlorotetrakis(N,N0-di-p-anisylformamidinato)-diruthenium(II,III) 120 22. Heptacarbonyl(disulfido)dimanganese(I) 122 23. Di(carbido)tetracosa(carbonyl)decaruthenate(2–) Salts 124 A. Calcium Di(carbido)tetracosa(carbonyl)decaruthenate(2–) 124 B. Bis[bis(triphenylphosphoranylidene)ammonium] Di(carbido)tetracosa(carbonyl)decaruthenate(2–) 125 Chapter Four GENERAL TRANSITION METAL COMPOUNDS 127 24. Bis(1,2-bis(dimethylphosphano)ethane)tricarbonyltitanium(0) and Hexacarbonyltitanate(2–) 127 A. Bis(1,2-bis(dimethylphosphano)ethane)-tricarbonyltitanium(0) 129 B. Bis[18-crown-6)(acetonitrile)potassium] Hexacarbonyltitanate(2–) 131 25. Tungsten Benzylidyne Complexes 134 A. Trichloro(1,2-dimethoxyethane)benzylidynetungsten(VI) 135 B. Chloro Bis[1,2-bis(diphenylphosphino)ethane]-benzylidynetungsten(IV) 136 26. Tungsten Oxytetrachloride and (Acetonitrile)tetrachlorotungsten Imido Complexes 138 A. Tungsten Oxytetrachloride 139 B. (Acetonitrile)tetrachloro(phenylimido)tungsten(VI) 140 C. (Acetonitrile)tetrachloro(2-propylimido)tungsten(VI) 141 D. (Acetonitrile)tetrachloro(2-propenylimido)tungsten(VI) 142 27. Tungsten Oxytetrachloride and Several Tungstate Salts 143 A. Tungsten Oxytetrachloride 144 B. Bis(tetrabutylammonium) Hexapolytungstate 145 C. Di(cetylpyridinium) Peroxoditungstate 146 D. Bis(tetrabutylammonium) Phenylphosphonatodiperoxotungstate 147 28. Bromotricarbonyldi(pyridine)manganese(I) 148 29. Bis(tetraethylammonium) fac-Tribromotricarbonylrhenate(I) and -Technetate(I) 149 A. Bis(tetraethylammonium) fac-Tribromotricarbonylrhenate(I) 151 B. Bis(tetraethylammonium) fac-Trichlorotricarbonyltechnetate(I) 152 30. Methyl(oxo)rhenium(V) Complexes with Chelating Ligands 155 A. Methyl(oxo)(1,2-ethanedithiolato)rhenium(V) Dimer 156 B. Methyl(oxo)bis(2-oxyquinoline)rhenium(V) 157 C. Methyl(oxo)(2,20-thiodiacetato)(triphenylphosphine)-rhenium(V) 158 31. Hexahydridoferrate(II) Salts 160 A. Tetrakis[bromobis(tetrahydrofuran)magnesium] Hexahydridoferrate(II) 161 B. Tetrakis[2-methyl-2-propoxomagnesium] Hexahydridoferrate(II) 163 32. Tris(allyl)iridium and -Rhodium 165 A. Allyllithium 166 B. mer-Trichlorotris(tetrahydrothiophene)iridium(III) 166 C. mer-Trichlorotris(tetrahydrothiophene)rhodium(III) 167 D. Tris(allyl)iridium(III) 168 E. Tris(allyl)rhodium(III) 170 33. Trinuclear Palladium(II) Acetate 171 Chapter Five MAIN GROUP COMPOUNDS AND LIGANDS 174 34. Monocarbaborane Anions with 10 or 12 Vertices 174 A. Tetraethylammonium arachno-6-Carba-decaboranate(14) 176 B. Tetraethylammonium closo-2-Carba-decaboranate(10) 177 C. Tetraethylammonium closo-1-Carba-decaboranate(10) 178 D. Tetraethylammonium closo-1-Carba-dodecaboranate(12) 179 E. Tetraethylammonium nido-6-Phenyl-6-carbadecaboranate(12) 180 F. Tetraethylammonium closo-2-Phenyl-2-carbadecaboranate(10) 181 G. Tetraethylammonium closo-1-Phenyl-1-carbadecaboranate(10) 182 H. Tetraethylammonium closo-1-Phenyl-1-carbadodecaboranate(12) 183 35. Tetrakis(5-tert-butyl-2-hydroxyphenyl)ethene 186 A. 5,50-Di-tert-butyl-2,20-dimethoxybenzophenone 187 B. Titanium Trichloride 1,2-Dimethoxyethane (1:1.5) 189 C. Tetrakis(5-tert-butyl-2-methoxyphenyl)ethene 189 D. Tetrakis(5-tert-butyl-2-hydroxyphenyl)ethene 192 36. Electrochemical Synthesis of Tetraethylammonium Tetrathiooxalate 195 37. Mid-Infrared Emitting Lead Selenide Nanocrystal Quantum Dots 198 A. Lead Selenide NQDs Emitting at 2.5 μm (0.50 eV) 199 B. Lead Selenide NQDs Emitting at 2.8 μm (0.44 eV) 200 C. Lead Selenide NQDs Emitting at 3.3 μm (0.38 eV) 201 D. Lead Selenide NQDs Emitting at 3.5 μm (0.35 eV) 201 Chapter Six TEACHING LABORATORY EXPERIMENTS 203 38. Tetra(acetato)dichromium(II) Dihydrate 203 39. Keggin Structure Polyoxometalates 210 A. Tri(ammonium) 12-Molybdophosphate 211 B. 12-Tungstosilicic Acid 212 C. 12-Tungstophosphoric Acid 214 D. 12-Molybdophosphoric Acid 215 40. Quadruply Metal–Metal Bonded Complexes of Rhenium(III) 217 A. Tetrabutylammonium Perrhenate(VII) 218 B. Bis(tetrabutylammonium) Octachlorodirhenate(III) 219 C. Tetra(acetato)dichlorodirhenium(III) 221 41. Bis[bis(triphenylphosphoranylidene)ammonium] Undecacarbonyltriferrate(2

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Book SynopsisInorganic Chemistry for Geochemistry and Environmental Sciences: Fundamentals and Applications discusses the structure, bonding and reactivity of molecules and solids of environmental interest, bringing the reactivity of non-metals and metals to inorganic chemists, geochemists and environmental chemists from diverse fields. Understanding the principles of inorganic chemistry including chemical bonding, frontier molecular orbital theory, electron transfer processes, formation of (nano) particles, transition metal-ligand complexes, metal catalysis and more are essential to describe earth processes over time scales ranging from 1 nanosec to 1 Gigayr. Throughout the book, fundamental chemical principles are illustrated with relevant examples from geochemistry, environmental and marine chemistry, allowing students to better understand environmental and geochemical processes at the molecular level. Topics covered include:Thermodynamics and kinetics of redoxTable of ContentsAbout the Author xv Preface xvii Companion Website xix 1. Inorganic Chemistry and the Environment 1 1.1 Introduction 1 1.1.1 Energetics of Processes 1 1.2 Neutron–Proton Conversion 3 1.3 Element Burning Reactions – Buildup of Larger Elements 4 1.4 Nuclear Stability and Binding Energy 5 1.4.1 The “r” and “s” Processes 6 1.5 Nuclear Stability (Radioactive Decay) 8 1.6 Atmospheric Synthesis of Elements 8 1.7 Abundance of the Elements 8 1.7.1 The Cosmos and the Earth’s Lithosphere 8 1.7.2 Elemental Abundance (Atmosphere, Oceans, and Human Body) 10 1.8 Scope of Inorganic Chemistry in Geochemistry and the Environment 17 1.8.1 Elemental Distribution Based on Photosynthesis and Chemosynthesis 17 1.8.2 Stratified Waters and Sediments – the Degradation of Organic Matter by Alternate Electron Acceptors 19 1.9 Summary 21 1.9.1 Environmental Inorganic Chemistry 22 References 22 2. Oxidation–Reduction Reactions (Redox) 24 2.1 Introduction 24 2.1.1 Energetics of Half Reactions 24 2.1.2 Standard Potential and the Stability of a Chemical Species of an Element 26 2.2 Variation of Standard Potential with pH (the Nernst Equation) 29 2.3 Thermodynamic Calculations and pH Dependence 29 2.4 Stability Field of Aqueous Chemical Species 31 2.5 Natural Environments 32 2.6 Calculations to Predict Favorable Chemical Reactions 32 2.6.1 Coupling Half-Reactions 34 2.6.2 One-Electron Oxygen Transformations with Fe2+ and Mn2+ to Form O2− 35 2.7 Highly Oxidizing Conditions 38 2.7.1 Ozonolysis Reactions 38 2.7.2 Atmospheric Redox Reactions 39 Appendix 2.1 Gibbs Free Energies of Formation 43 References 43 3. Atomic Structure 45 3.1 History 45 3.2 The Bohr Atom 46 3.3 The Schrodinger Wave Equation 47 3.4 Components of the Wave Function 50 3.4.1 Radial Part of the Wave Function, R(r) 50 3.4.2 Angular Part of the Wavefunction Ylml(𝜃, 𝜙) and Atomic Orbitals 54 3.5 The Four Quantum Numbers 56 3.6 The Polyelectronic Atoms and the Filling of Orbitals for the Atoms of the Elements 58 3.7 Aufbau Principle 61 3.8 Atomic Properties 62 3.8.1 Orbitals Energies and Shielding 62 3.8.2 Term Symbols: Coupling of Spin and Orbital Angular Momentum 63 3.8.3 Periodic Properties – Atomic Radius 67 3.8.4 Periodic Properties – Ionization Potential (IP) 67 3.8.5 Periodic Properties – Electron Affinity (EA) 71 3.8.6 Periodic Properties – Electronegativity (𝜒) 74 3.8.7 Periodic Properties – Hardness (𝜂) 75 References 77 4. Symmetry 79 4.1 Introduction 79 4.2 Symmetry Concepts 79 4.2.1 Symmetry Operation 79 4.2.2 Symmetry Element 79 4.2.3 Symmetry Elements and Operations 80 4.3 Point Groups 84 4.3.1 Special Groups and Platonic Solids/Polyhedra 85 4.3.2 Examples of the Use of the Scheme for Determining Point Groups 88 4.4 Optical Isomerism and Symmetry 92 4.4.1 Dichloro-Allene Derivatives (C3H2Cl2) 92 4.4.2 Tartaric Acid 93 4.4.3 Cylindrical Helix Molecules 93 4.5 Fundamentals of Group Theory 93 4.5.1 C2v Point Group 95 4.5.2 Explanation of the Character Table 96 4.5.3 Generation of the Irreducible Representations (C2v Case) 97 4.5.4 Notation for Irreducible Representations 97 4.5.5 Some Important Properties of the Characters and their Irreducible Representations 98 4.5.6 Nonindependence of x and y Transformations (Higher Order Rotations) 98 4.6 Selected Applications of Group Theory 101 4.6.1 Generation of a Reducible Representation to Describe a Molecule 101 4.6.2 Determining the IR and Raman Activity of Vibrations in Molecules 104 4.6.3 Determining the Vibrational Modes of Methane, CH4 105 4.6.4 Determining the Irreducible Representations and Symmetry of the Central Atom’s Atomic Orbitals that Form Bonds 107 4.7 Symmetry Adapted Linear Combination (SALC) of Orbitals 111 4.7.1 Sigma Bonding with Hydrogen as Terminal Atom 111 4.7.2 Sigma and Pi Bonding with Atoms Other than Hydrogen as Terminal Atom 114 Appendix 4.1 Some Additional useful Character Tables 120 References 122 5. Covalent Bonding 123 5.1 Introduction 123 5.1.1 Lewis Structures and the Octet Rule 123 5.1.2 Valence Shell Electron Pair Repulsion Theory (VSEPR) 126 5.2 Valence Bond Theory (VBT) 127 5.2.1 H2 and Valence Bond Theory 129 5.2.2 Ionic Contributions to Covalent Bonding 130 5.2.3 Polyatomic Molecules and Valence Bond Theory 131 5.3 Molecular Orbital Theory (MOT) 132 5.3.1 H2 132 5.3.2 Types of Orbital Overlap 137 5.3.3 Writing Generalized Wave Functions 138 5.3.4 Brief Comments on Computational Methods and Computer Modeling 139 5.3.5 Homonuclear Diatomic Molecules (A2) 140 5.3.6 Heteronuclear Diatomic Molecules and Ions (AB; HX) – Sigma Bonds Only 144 5.3.7 Heteronuclear Diatomic Molecules and Ions (AB) – Sigma and Pi Bonds 147 5.4 Understanding Reactions and Electron Transfer (Frontier Molecular Orbital Theory) 150 5.4.1 Angular Overlap 151 5.4.2 H+ +OH− 151 5.4.3 H2 +D2 152 5.4.4 H2 +F2 153 5.4.5 H2 +C2 154 5.4.6 H2 +N2 (also CO+H2) 154 5.4.7 Dihalogens as Oxidants 156 5.4.8 O2 as an Oxidant and its Reaction with H2S and HS− 157 5.5 Polyatomic Molecules and Ions 161 5.5.1 H3+ Molecular Cation 161 5.5.2 BeH2 – Linear Molecule with Sigma Bonds Only 163 5.5.3 H2O – Angular Molecule with Sigma Bonds Only 165 5.6 Tetrahedral and Pyramidal Species with Sigma Bonds only (CH4, NH4+, SO42−) 168 5.6.1 CH4 168 5.6.2 NH3 (C3v) 170 5.6.3 BH3 and the Methyl Cation, CH3+ (D3h) 172 5.7 Triatomic Compounds and Ions Involving 𝜋 Bonds (A3, AB2, and ABC) 175 5.7.1 A3 Linear Species 175 5.7.2 AB2 Linear Species CO2 (COS and N2O) 178 5.7.3 O3, NO2−, and SO2 (Angular Molecules) 180 5.8 Planar Species (BF3, NO3−, CO32−, SO3) 182 Appendix 5.1 Bond Energies for Selected Bonds 184 Appendix 5.2 Energies of LUMOs and HOMOs 185 References 186 6. Bonding in Solids 189 6.1 Introduction 189 6.2 Covalent Bonding in Metals: Band Theory 189 6.2.1 Atomic Orbital Combinations for Metals 189 6.2.2 Metal Conductors 191 6.2.3 Semiconductors and Insulators 191 6.2.4 Fermi Level 193 6.2.5 Density of States (DOS) 194 6.2.6 Doping of Semiconductors 195 6.2.7 Structures of Solids 196 6.3 Ionic Solids 200 6.3.1 Solids AX Stoichiometry 200 6.3.2 Solids with Stoichiometry of AX2, AO2, A2O3, ABO3 (Perovskite), AB2O4 (Spinel) 203 6.3.3 Crystal Radii 205 6.3.4 Radius Ratio Rule 205 6.3.5 Lattice Energy 207 6.3.6 Born–Haber Cycle 209 6.3.7 Thermal Stability of Ionic Solids 210 6.3.8 Defect Crystal Structures 212 6.4 Nanoparticles and Molecular Clusters 214 References 217 7. Acids and Bases 219 7.1 Introduction 219 7.2 Arrhenius and Bronsted–Lowry Definitions 219 7.3 Hydrolysis of Metal–Water Complexes 222 7.4 Hydration of Anhydrous Acidic and Basic Oxides 223 7.4.1 Acidic Oxides 223 7.4.2 Basic Oxides 224 7.4.3 Amphoteric Oxides 224 7.5 Solvent System Definition 224 7.5.1 Leveling Effect 225 7.6 Gas Phase Acid–Base Strength 225 7.6.1 H3+ as a Reactant 227 7.7 Lewis Definition 227 7.7.1 MOT 228 7.7.2 Molecular Iodine Adducts or Complexes as Examples 228 7.7.3 Thermodynamics of Lewis Acid–Base Reactions 229 7.7.4 Lewis Acid–Base Reactions of CO2 and I2 with Water and Hydroxide Ion 230 7.7.5 Lewis Acid–Base Competitive Reactions 232 7.8 Classification of Acids and Bases 232 7.8.1 Irving–Williams Stability Relationship for the First Transition Metal Series 232 7.8.2 Class “a” and “b” Acids and Bases 233 7.8.3 Hard Soft Acid Base (HSAB) Theory 233 7.9 Acid–Base Properties of Solids 235 References 235 8. Introduction to Transition Metals 237 8.1 Introduction 237 8.2 Coordination Geometries 237 8.3 Nomenclature 240 8.3.1 Complex Ion is Positive 241 8.3.2 Complex Ion is Negative 242 8.3.3 Complex Ion with Multiple Ligands 242 8.3.4 Complex Ion with Ligand that can Bind with More Than One Atom (Ambidentate) 243 8.3.5 Complex Ion with Multidentate Ligands 243 8.3.6 Two Complex Ions with a Bridging Ligand 243 8.4 Bonding and Isomers for Octahedral Geometry 243 8.4.1 Ionization Isomerism 244 8.4.2 Hydrate (Solvate) Isomers 244 8.4.3 Coordination Isomerism 245 8.4.4 Linkage Isomerism 245 8.4.5 Geometrical Isomerism – Four Coordination 246 8.4.6 Optical Isomerism in Octahedral Geometry 248 8.5 Bonding Theories for Transition Metal Complexes 250 8.5.1 Valence Bond Theory 251 8.5.2 Crystal Field Theory 252 8.6 Molecular Orbital Theory 268 8.6.1 Case 1 – Octahedral Geometry (Sigma Bonding Only) 268 8.6.2 Case 2 – Octahedral Geometry (Sigma Bonding Plus Ligand 𝜋 Donor) 271 8.6.3 Case 3 – Octahedral Geometry (Sigma Bonding Plus Ligand 𝜋 Acceptor) 272 8.7 Angular Overlap Model 274 8.7.1 AOM and 𝜋 Ligand Donor Bonding 277 8.7.2 AOM and 𝜋 Ligand Acceptor Bonding 278 8.7.3 MOT, Electrochemistry, and the Occupancy of Electrons in d Orbitals in Oh 278 8.7.4 AOM and Other Geometries 279 8.8 More on Spectroscopy of Metal–Ligand Complexes 281 8.8.1 Charge Transfer Electronic Transitions 282 8.8.2 Electronic Spectra, Spectroscopic Terms, and the Energies of the Terms for d→d Transitions 283 8.8.3 Energy and Spatial Description of the Electron Transitions Between t2g and eg * Orbitals 296 8.8.4 More Details on Correlation Diagrams 297 8.8.5 Luminescence 299 8.8.6 Magnetism and Spin Crossover in Octahedral Complexes and Natural Minerals 301 8.8.7 Note about f Orbitals in Cubic Symmetry (Oh) 303 References 303 9. Reactivity of Transition Metal Complexes: Thermodynamics, Kinetics and Catalysis 305 9.1 Thermodynamics Introduction 305 9.1.1 Successive Stability Constants on Water Substitution 305 9.1.2 The Chelate Effect 307 9.2 Kinetics of Ligand Substitution Reactions 308 9.2.1 Kinetics of Water Exchange for Aqua Complexes 310 9.2.2 Intimate Mechanisms for Ligand Substitution Reactions 310 9.2.3 Kinetic Model and Activation Parameters 311 9.2.4 Dissociative Versus Associative Preference for Octahedral Ligand Substitution Reactions 314 9.2.5 Stoichiometric Mechanisms 315 9.2.6 Tests for Reaction Mechanisms 320 9.3 Substitution in Octahedral Complexes 321 9.3.1 Examples of Dissociative Activated Mechanisms 321 9.3.2 Associative Activated Mechanisms 322 9.4 Intimate Mechanisms Affected by Steric Factors (Dissociative Preference) 324 9.4.1 Intimate Mechanisms Affected by Ligands in Cis versus Trans Positions (Dissociative Preference) 324 9.4.2 Base Hydrolysis 325 9.5 Intimate versus Stoichiometric Mechanisms 327 9.6 Substitution in Square Planar Complexes (Associative Activation Predominates) 328 9.6.1 Effect of Leaving Group 330 9.6.2 Effect of Charge 330 9.6.3 Nature of the Intermediate – Electronic Factors 330 9.6.4 Nature of the Intermediate – Steric Factors 331 9.7 Metal Electron Transfer Reactions 332 9.7.1 Outer Sphere Electron Transfer 333 9.7.2 Cross Reactions 337 9.7.3 Inner Sphere Electron Transfer 339 9.8 Photochemistry 341 9.8.1 Redox 341 9.8.2 Photosubstitution Reactions d→d 341 9.8.3 LMCT and Photoreduction 342 9.8.4 MLCT Simultaneous Substitution and Photo-Oxidation Redox 342 9.9 Effective Atomic Number (EAN) Rule or the Rule of 18 342 9.10 Thermodynamics and Kinetics of Organometallic Compounds 344 9.11 Electron Transfer to Molecules during Transition Metal Catalysis 345 9.12 Oxidation Addition (OXAD) and Reductive Elimination (Redel) Reactions 346 9.13 Metal Catalysis 347 9.13.1 OXO or Hydroformylation Process 348 9.13.2 Heck Reaction 350 9.13.3 Methyl Transferases 350 9.13.4 Examples of Abiotic Organic Synthesis (Laboratory and Nature) 351 9.13.5 The Haber Process Revisited 353 References 353 10. Transition Metals in Natural Systems 356 10.1 Introduction 356 10.2 Factors Governing Metal Speciation in the Environment and in Organisms 356 10.3 Transition Metals Essential for Life 358 10.4 Important Environmental Iron and Manganese Reactions 359 10.4.1 Oxidation of Fe2+ and Mn2+ by O2 – Environmentally Important Metal Electron Transfer Reactions 360 10.4.2 Redox Properties of Iron–Ligand Complexes 363 10.4.3 Metal Ions Exhibiting Outer Sphere Electron Transfer 364 10.5 Oxygen (O2) Storage and Transport 364 10.5.1 Hemoglobin 365 10.5.2 Hemocyanin and Hemerythrin 368 10.6 Oxidation of CH4, Hydrocarbons, NH4+ 368 10.6.1 Cytochrome P450: An Example of Cytochrome (Heme – O2) Redox Chemistry 369 10.6.2 Conversion of NH4+ to NO3− (Nitrification or Aerobic Ammonium Oxidation) 371 10.7 Oxygen Production in Photosynthesis 372 References 374 11. Solid Phase Iron and Manganese Oxidants and Reductants 377 11.1 Introduction 377 11.2 Reduction of Solid MnO2 and Fe(OH)3 by Sulfide 377 11.2.1 Fe(III) and Mn(IV) Electron Configurations 378 11.2.2 MnO2 Reaction with Sulfide 379 11.2.3 Fe(OH)3 Reaction with Sulfide 382 11.3 Pyrite, FeS2, Oxidation 384 11.3.1 Pyrite Reacting with O2 384 11.3.2 Pyrite Reacting with Soluble Fe(III) 385 11.3.3 Pyrite Reacting with Dihalogens and Cr2+ 387 References 388 12. Metal Sulfides in the Environment and in Bioinorganic Chemistry 390 12.1 Introduction 390 12.2 Idealized Molecular Reaction Schemes from Soluble Complexes to ZnS and CuS Solids 391 12.3 Nanoparticle Size and Filtration 394 12.4 Ostwald Ripening versus Oriented Attachment 394 12.5 Metal Availability and Detoxification for MS Species 396 12.6 Iron Sulfide Chemistry 396 12.6.1 FeSmack (Mackinawite) 396 12.6.2 FeSmack Conversion to Pyrite, FeS2 397 12.6.3 FeS as a Catalyst in Organic Compound Formation 400 12.6.4 FeS as an Electron Transfer Agent in Biochemistry 400 12.7 More on the Nitrogen Cycle (Nitrate Reduction, Denitrification, and Anammox) 402 Appendix 12.1 PbS Nanoparticle Model and Size Ranges of Natural Materials 404 References 404 13. Kinetics and Thermodynamics of Metal Uptake by Organisms 406 13.1 Introduction 406 13.1.1 Conditional Metal–Ligand Stability Constants 407 13.1.2 Thermodynamic Metal–Ligand Stability Constants 409 13.2 Metal Uptake Pathways 410 13.2.1 Ion Channels for Potassium 411 13.2.2 Metal Uptake by Cells via Ligands on Membranes 413 13.2.3 Evaluation of kf , kd, and KcondM′L′ from Laboratory and Natural Samples 418 References 420 Index 421

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Book SynopsisBridging the Gap Between Organic Chemistry Fundamentals and Advanced Synthesis Problems Introduction to Strategies of Organic Synthesis bridges the knowledge gap between sophomore-level organic chemistry and senior-level or graduate-level synthesis to help students more easily adjust to a synthetic chemistry mindset. Beginning with a thorough review of reagents, functional groups, and their reactions, this book prepares students to progress into advanced synthetic strategies. Major reactions are presented from a mechanistic perspective and then again from a synthetic chemist's point of view to help students shift their thought patterns and teach them how to imagine the series of reactions needed to reach a desired target molecule. Success in organic synthesis requires not only familiarity with common reagents and functional group interconversions, but also a deep understanding of functional group behavior and reactivity. This book provides clear explanatTable of ContentsPreface xix Acknowlegments xxi CHAPTER 1 Synthetic Toolbox 1: Retrosynthesis and Protective Groups 1 1.1 Retrosynthetic Analysis 3 1.2 Protective Groups 11 CHAPTER 1 Problems Protective Groups 19 CHAPTER 2 Synthetic Toolbox 2: Overview of Organic Transformations 21 2.1 Nucleophiles and Electrophiles 23 2.2 Oxidation and Reduction Reactions 27 CHAPTER 2 Problems Nucleophiles, Electrophiles, and Redox 41 CHAPTER 3 Synthesis of Monofunctional Target Molecules (1-FG TMs) 45 3.1 Synthesis of Alcohols (ROH) and Phenols (ArOH) 47 3.2 Synthesis of Alkyl (RX) and Aryl Halides (ArX) 61 3.3 Synthesis of Ethers (ROR′) 67 3.4 Synthesis of Thiols (RSH) and Thioethers (RSR´) 73 3.5 Synthesis of Amines (RNH2) and Anilines (ArNH2) 77 3.6 Synthesis of Alkenes (R2C¨TCR2) 85 3.7 Synthesis of Alkynes (RC≡CR′) 93 3.8 Synthesis of Alkanes (RH) 97 3.9 Synthesis of Aldehydes and Ketones (RCHO, R2C¨TO) 105 3.10 Synthesis of Carboxylic Acids (RCO2H) 117 3.11 Synthesis of Carboxylic Acid Derivatives 125 CHAPTER 3 Problems 1-FG TMs 139 CHAPTER 4 Synthesis of Target Molecules with Two Functional Groups (2-FG TMs) 143 4.1 Synthesis of β©\Hydroxy Carbonyls and α,β©\Unsaturated Carbonyls 145 4.2 More Enolate Reactions: Synthesis of 1,3©\Dicarbonyls, 1,5©\Dicarbonyls, and Cyclohexenones 157 4.3 “Illogical” 2©\Group Disconnections: Umpolung (Polarity Reversal) 171 CHAPTER 4 Problems 2-FG TMs 183 CHAPTER 5 Synthesis of Aromatic Target Molecules 187 5.1 Electrophilic Aromatic Substitution (ArH + E+ → ArE) 189 5.2 Synthesis of Aromatic TMs via Diazonium Salts (ArN2 + + Nu: → ArNu) 201 5.3 Nucleophilic Aromatic Substitution (ArX + Nu: → ArNu) 205 CHAPTER 5 Problems Aromatic TMs 209 CHAPTER 6 Synthesis of Compounds Containing Rings 211 6.1 Synthesis of Cyclopropanes 213 6.2 Synthesis of Cyclobutanes 215 6.3 Synthesis of Five©\Membered Rings (Radical Cyclization Reactions) 217 6.4 Synthesis of Six©\Membered Rings (Diels–Alder Reaction) 221 CHAPTER 6 Problems Cyclic TMs 231 CHAPTER 7 Predicting and Controlling Stereochemistry 235 7.1 Reactions that Form Racemates 237 7.2 SN2 Mechanism: Backside Attack 243 7.3 Elimination Mechanisms 245 7.4 Additions to Alkenes and Alkynes 247 7.5 Additions to Carbonyls 251 7.6 Additions to Enolates: Aldol Stereochemistry 257 7.7 Enantioselectivity and Asymmetric Syntheses 261 CHAPTER 7 Problems Stereochemistry 269 CHAPTER 8 Transition Metal-Mediated Carbon–Carbon Bond Formation 273 8.1 Transition Metal Coordination Complexes 275 8.2 Organometallic Reaction Mechanisms 283 8.3 Carbonylation and Decarbonylation 291 8.4 (ArX + Alkene → Ar©\Alkene) 295 8.5 Palladium©\Catalyzed Cross©\Coupling Reactions (RX + R′M → R©\R′) 297 8.6 Olefin Metathesis Reactions 303 8.7 Retrosynthesis: Disconnections Based on Metal-Mediated Reactions 307 CHAPTER 8 Problems Transition Metal-Mediated Synthesis 309 SOLUTIONS TO PROBLEMS 313 Index 389

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Book SynopsisThe newest volume in the authoritative Inorganic Syntheses book series provides users of inorganic substances with detailed and foolproof procedures for the preparation of important and timely inorganic and organometallic compounds that can be used in reactions to develop new materials, drug targets, and bio-inspired chemical entities.Table of ContentsNote to Contributors and Checkers xv Toxic Substances and Laboratory Hazards xvii Preface xix Chapter One DIVALENT MANGANESE, IRON, AND COBALT BIS(TRIMETHYLSILYL)AMIDO DERIVATIVES AND THEIR TETRAHYDROFURAN COMPLEXES 1 1. Introduction 1 2. Bis{bis(trimethylsilyl)amido}iron(II) dimer: [Fe{N(SiMe3)2}2]2 4 A. Bis{bis(trimethylsilyl)amido}iron(II) dimer: [Fe{N(SiMe3)2}2]2 5 3. Bis{bis(trimethylsilyl)amido}cobalt(II) dimer, [Co{N(SiMe3)2}2]2,and bis{bis(trimethylsilyl)amido}(tetrahydrofuran)cobalt(II),Co{N(SiMe3)2}2(THF) 7 A. Bis{bis(trimethylsilyl)amido}cobalt(II) dimer: [Co{N(SiMe3)2}2]2 . 8 B. Bis{bis(trimethylsilyl)amido}(tetrahydrofuran)cobalt(II): Co{N(SiMe3)2}2(THF) 9 4. Bis{bis(trimethylsilyl)amido}manganese(II) dimer, [Mn{N(SiMe3)2}2]2, and its THF complexes Mn{N(SiMe3)2}2(THF) and Mn{N(SiMe3)2}2(THF)2 10 A. Bis{bis(trimethylsilyl)amido}(tetrahydrofuran)manganese(II),Mn{N(SiMe3)2}2(THF), and bis{bis(trimethylsilyl)amido} manganese(II) dimer, [Mn{N(SiMe3)2}2]2 11 B. Bis{bis(trimethylsilyl)amido}bis(tetrahydrofuran)manganese(II) 12 C. An alternative synthesis of Mn{N(SiMe3)2}2(THF) and [Mn{N(SiMe3)2}2]2 12 Chapter Two CALCIUM, STRONTIUM, GERMANIUM, TIN, AND LEAD BIS(TRIMETHYLSILYL)AMIDO DERIVATIVES AND 2,2,6,6- TETRAMETHYLPIPERIDIDO AND N-ISOPROPYLPHENYLAMIDO DERVATIVES OF POTASSIUM AND CALCIUM 15 1. Introduction 15 2. Potassium (2,2,6,6-tetramethylpiperidide), bis(2,2,6,6- tetramethylpiperidido) (N,N,N’,N’ -tetramethylethylenediamine)calcium(II), potassium (N-isopropylanilido), and bis(N-isopropylanilido) Tris (tetrahydrofuran)calcium(II) 18 A. Potassium 2,2,6,6-tetramethylpiperidide 19 B. Diiodotetrakis(tetrahydrofuran)calcium(II) 20 C. Bis(2,2,6,6-tetramethylpiperidido)(N,N,N’,N’- tetramethylethylenediamine)calcium(II) 20 D. Potassium N-{isopropyl(phenyl)amide} (Potassium N-isopropylanilide) 21 E. Bis{N-isopropyl(phenyl)amido}tris(tetrahydrofuran)calcium(II) 22 F. Bis[{bis(tetrahydrofuran)potassium}bis{μ-N(isopropyl)(phenyl) amido}]calcium(II) 22 3. Bis{bis(trimethylsilyl)amido}calcium(II) dimer, [Ca{N(SiMe3)2}2]2, and bis {bis(trimethylsilyl)amido}strontium(II) dimer, [Sr{N(SiMe3)2}2]2 24 A. Bis{bis(trimethylsilyl)amido}calcium(II) dimer, [Ca{N(SiMe3)2}2]2,and bis{bis(trimethylsilyl)amido}strontium(II) dimer, [Sr{N(SiMe3)2}2]2 25 4. Divalent Group 14 metal bis(trimethylsilylamides), M{N(SiMe3)2}2 (M = Ge, Sn, Pb) 26 A. Bis{bis(trimethylsilyl)amido}germanium(II), Ge{N(SiMe3)2}2 27 B. Bis{bis(trimethylsilyl)amido}tin(II), Sn{N(SiMe3)2}2 28 C. Bis{bis(trimethylsilyl)amido}lead(II), Pb{N(SiMe3)2}2 29 Chapter Three COMPOUNDS WITH Zn–Zn AND Mg–Mg BONDS: DECAMETHYLDIZINCOCENE AND β-DIKETIMINATO COMPLEXES OF MAGNESIUM(I) AND (II) 33 1. Introduction 33 2. Pentamethylcyclopentadienyl zinc(I) dimer, {Zn(η5-C5Me5)}2 37 A. Pentamethylcyclopentadienyl potassium 38 B. Bis(pentamethylcyclopentadienyl)zinc(II) 38 C. Bis(pentamethylcyclopentadienyl)dizinc(I) 39 3. β-diketiminato complexes of magnesium(I)/(II) 40 A. {2,4-bis-(2,6-diisopropylphenylimido)pentyl}(diethylether) iodomagnesium(II), {HC(CMeNC6H3-2,6-Pri 2)2}MgI(OEt2) 41 B. {2,4-bis-(mesitylimido)pentyl}(diethylether) iodidomagnesium(II),{HC(CMeNC6H2-2,4,6-Me3)2}MgI(OEt2) 42 C. Bis{2,4-bis-(2,6-diisopropylphenylimido)pentyl}dimagnesium(I) [{HC(CMeNC6H3-2,6-Pri 2)2}2Mg]2 43 D. Bis{2,4-bis-(mesitylimido)pentyl}dimagnesium(I), [{HC(CMeN(C6H2-2,4,6-Me3)}Mg]2 44 Chapter Four STERICALLY CROWDED σ- AND π-BONDED METAL ARYL COMPLEXES 47 1. Introduction 47 2. Dimesityliron(II) dimer and dimesityldipyridineiron(II) (Mes = Mesityl = C6H2-2,4,6-Me3) 50 A. Tetramesityldiiron(II) dimer (FeMes2)2 (Mes = 2,4,6-trimethylphenyl) 51 B. Dimesityldi(pyridine)iron(II) FeMes2py2 (py = C5H5N) 54 3. Homoleptic, two-coordinate open-shell 2,6-dimesitylphenyl complexes of lithium, manganese, iron, and cobalt 56 A. 1-Iodo-2,6-bis(2,4,6-trimethylphenyl)benzene, 2,6-dimesitylphenyl iodide 57 B. Bis{μ-2,6-bis(2,4,6-trimethylphenyl)phenyl}dilithium, 2,6-dimesitylphenyllithium dimer 58 C. Bis{2,6-bis(2,4,6-trimethylphenyl)phenyl}manganese(II), (bis(2,6-dimesitylphenyl)manganese(II)) 59 D. Bis{2,6-bis(2,4,6-trimethylphenyl)phenyl}iron(II), bis(2,6-dimesitylphenyl)iron(II) 59 E. Bis{2,6-bis(2,4,6-trimethylphenyl)phenyl}cobalt(II),bis(2,6-dimesitylphenyl)cobalt(II) 60 4. Monomeric group 14 diaryls bis{2,6-bis(2,4,6-trimethylphenyl)phenyl} germanium(II), tin(II), or lead(II), M{C6H3-2,6-Mes2)2 and bis{2,6-bis(2,6- diisopropylphenyl)phenyl}germanium(II), tin(II), or lead(II), M{C6H3-2,6-Dipp2}2 (M = Ge, Sn, or Pb; Mes = C6H2-2,4,6-Me3;Dipp = C6H3-2,6-Pri2) 61 5. m-terphenylgallium chloride complexes 65 A. {Bis(diethylether)lithium}{trichlorido(2,6-diphenyl)phenylgallate}, {Li(Et2O)2}{(C6H3-2,6-Ph2)GaCl3} 66 B. Chlorido{bis(2,6-dimesitylphenyl)}gallium, (2,6-Mes2C6H3)2GaCl 67 6. {(18-crown-6)bis(tetrahydrofuran)potassium}{bis(1,2,3,4-η4-anthracene)metallates} of cobalt(-I) and iron(-I),{K(18-crown-6)(THF)2} {M(η4-C14H10)2}, M= Co, Fe 67 A. {(18-crown-6)bis(tetrahydrofuran)potassium}{bis(1,2,3,4-η4-anthracene)cobaltate}, {K(18-crown-6)(THF)2}{Co(C14H10)2} 69 B. {(18-crown-6)bis(tetrahydrofuran)potassium}{bis(1,2,3,4-η4-anthracene)ferrate}, {K(18-crown-6)(THF)2}{Fe(C14H10)2} 70 7. {Bis(1,2-dimethoxyethane)potassium}{bis(1,2,3,4-η4-anthracene) cobaltate}, {K(DME)2}{Co(η4-C14H10)2} 72 8. Cyclopentadienyl and pentamethylcyclopentadienyl naphthalene ferrates 76 A. Bis(tetrahydrofuran)lithium cyclopentadienyl(1,2,3,4-η4-napthalene) ferrate, [{Li(thf)2}{CpFe(η4-C10H8)}] 78 B. (18-crown-6)potassium pentamethylcyclopentadienyl(1,2,3,4-η4- napthalene)ferrate, [K(18-crown-6){Cp∗Fe(η4-C10H8)}] 79 Chapter Five TERPHENYL LIGANDS AND COMPLEXES 85 1. Introduction 85 2. m-Terphenyl iodo and lithium reagents featuring 2,6-bis-(2,6- diisopropylphenyl) substitution patterns and an m-terphenyl lithium etherate featuring the 2,6-bis-(2,4,6-triisopropylphenyl) substitution pattern 89 A. 1-bromo-2,6-diisopropylbenzene, 1-Br-2,6-Pri2C6H3;DippBr) 90 B. 1-iodo-2,6-bis(2,6-diisopropylphenyl)benzene (IC6H3-2,6-Dipp2) 92 C. Bis{2,6-bis(2,6-diisopropylphenyl)phenyl}dilithium,(LiC6H3-2,6-Dipp2)2 94 D. 2,6-bis(2,6-diisopropylphenyl)phenyllithiumetherate 95 E. 2,6-bis(2,4,6-triisopropylphenyl)phenyllithiumetherate{(Et2O)LiC6H3-2,6-Trip2} 96 3. 2,6-dimesitylaniline (H2NC6H3-2,6-Mes2) and 2,6-bis(2,4,6- triisopropylphenyl)aniline (H2NC6H3-2,6-Trip2) 98 A. 2,6-dimesitylphenylazide, 2,6-Mes2C6H3N 99 B. 2,6-dimesitylaniline, 2,6-Mes2C6H3NH2 100 C. 2,6-bis(2,4,6-triisopropylphenyl)iodobenzene, 2,6-Trip2C6H3I 101 D. 2,6-bis(2,4,6-triisopropylphenyl)azidobenzene,2,6-Trip2C6H3N3 102 E. 2,6-bis(2,4,6-triisopropylphenyl)aniline, 2,6-Trip2C6H3NH2 103 4. Bis-2,6-(2,6-diisopropylphenyl)aniline 105 A. 1-azido-bis-2,6-(2,6-diisopropylphenyl)benzene,2,6-Dipp2H3C6N3 106 B. Bis-2,6-(2,6-diisopropylphenyl)aniline, 2,6-Dipp2H3C6NH2 107 5. Bis-2,6-(2,4,6-trimethylphenyl)phenylformamide and isocyanide,Bis-2,6-(2,6-diisopropylphenyl)phenylformamide and isocyanide 109 A. 2,6-dimesitylphenyl formamide {2,6-Mes2H3C6N(H)C(O)H} 110 B. 2,6-dimesitylphenyl isocyanide (2,6-Mes2H3C6NC) 111 C. 2,6-bis-(diisopropylphenyl)phenyl formamide{2,6-Dipp2H3C6N(H)C(O)H} 112 D. 2,6-bis-(diisopropylphenyl)phenyl isocyanide (2,6-Dipp2H3C6NC) 113 6. Synthesis of the terphenylthiols: 2,6-bis(2,6-diisopropylphenyl)phenylthiol,2,6-bis(2,4,6-triisopropylphenyl)phenylthiol, and bis{2,6-bis(2,4,6-triisopropylphenyl)phenylthiolato}dilithium 116 A. 2,6-bis(2,6-diisopropylphenyl)phenylthiol 117 B. 2,6-bis(2,4,6-triisopropylphenyl)phenylthiol 118 C. Bis{2,6-bis(2,4,6-triisopropylphenyl)phenylthiolato}dilithium 119 7. Sterically encumbered terphenols: 2,6-bis(2,4,6-trimethylphenyl)phenol and 2,6-bis(2,6-diisopropylphenyl)phenol 120 A. 2,6-bis(2,6-diisopropylphenyl)phenol 121 B. Bis(2,4,6-trimethylphenyl)phenol 121 Chapter Six SYNTHETIC ROUTES TO WHITE PHOSPHORUS (P4) AND ARSENIC TRIPHOSPHIDE (AsP3) 123 1. Introduction 123 2. Facile preparation of white phosphorus from red phosphorus:Preparation A 125 3. Synthesis of white phosphorus (P4) from red phosphorus:Preparation B 127 4. Arsenic triphosphide, AsP3 130 A. Tris(2,6-diisopropylphenoxy)niobiumdichloride {Cl2Nb(ODipp)3} and Tris(2,6-diisopropylphenoxy)niobiumdichloride(tetrahydrofuran) {Cl2Nb(ODipp)3(THF)} 131 B. {Na(THF)3}{P3Nb(ODipp)3} 132 C. Arsenic Triphosphide AsP3 133 Chapter Seven SYNTHETIC ROUTES TO PHOSPHIDO AND ARSENIDO DERIVATIVES OF THE GROUP 13 METALS ALUMINUM, GALLIUM, AND INDIUM, TRIS(TERT-BUTYL)GALLIUM AND ITS REACTIONS WITH AMMONIA, AND THE ALUMINUM(I) SPECIES PENTAMETHYLCYCLOPENTADIENYL ALUMINUM TETRAMER 135 1. Introduction 135 2. Dinuclear phosphido and arsenido derivatives of aluminum, gallium, and indium {Me2M(μ-EBut2)}2, M= Al, Ga, In; E = P, As 137 A. Preparation of {Me2M(μ-EBut2)}2 Complexes: M= Al,Ga, In; E = P, As 138 3. Tris(tert-butyl)gallane, its ammonia complex, and the amidobis(tert-butyl)gallane trimer tris(μ-amido)hexa(tert-butyl)trigallium 140 A. Tri-tert-butylgallane 141 B. Ammonia complex of tri-tert-butylgallane 142 C. Tris(μ-amido)hexa-tert-butyltrigallium: The trimer {But2Ga (μ-NH2)}3 143 4. Reductive elimination as a convenient pathway to tetrameric (η5-pentamethylcyclopentadienyl)aluminum(I) {(AlCp∗)4} (Cp∗ = η5-C5Me5) 144 A. Potassium pentamethylcyclopentadienide KCp∗ 146 B. Bis(pentamethylcyclopentadienyl)aluminumhydride (Cp∗2AlH) 146 C. Tetrameric (η5-pentamethylcyclopentadienyl)aluminum(I){(AlCp∗)4} 147 5. A facile synthesis of tetrameric (ƞ5-pentamethylycycloclopentadienyl) aluminum(I) {Al(ƞ5-C5Me5)}4 147 A. (ƞ5-pentamethylcyclopentadienyl)aluminumdichloride 149 B. Tetrameric (ƞ5-pentamethylcyclopentadienyl)aluminum(I) (AlCp∗)4 149 6. Tris(pentafluorophenyl)aluminum(toluene): Al(C6F5)3(C7H8) 150 A. Tris(pentafluorophenyl)aluminum(toluene) 151 Chapter Eight SYNTHESIS OF SELECTED TRANSITION METAL AND MAIN GROUP COMPOUNDS WITH SYNTHETIC APPLICATIONS 155 1. Introduction 155 2. Synthesis of gold(I) and gold(II) amidinate complexes 157 A. Synthesis of gold(I) amidinate complexes 158 B. Synthesis of gold(II) amidinate complexes 161 3. A nickel–iron thiolate and its hydride 166 A. (1,2-bis(diphenylphosphino)ethane)(1,3-propanedithiolato) nickel(II) 167 B. (1,2-bis(diphenylphosphino)ethane)nickel(I)(μ-1,3- propanedithiolato)tricarbonyliron(I) 168 C. (1,2-bis(diphenylphosphino)ethane)nickel(II)(μ-hydrido)(μ-1,3-propanedithiolato)tricarbonyliron(II) tetrafluoroborate 169 4. Dimethyl sulfoxide and organophosphine complexes of ruthenium(II) halides 171 A. cis-tetrakis(dimethylsulfoxide)ruthenium(II)dichloride 172 B. cis-bis{1,2-bis(diphenylphosphino)ethane}ruthenium(II) dichloride 174 C. Bis{1,2-bis(diphenylphosphino)ethane}chlororuthenium(II) hexafluorophosphate 174 D. trans-bis{1,2-bis(diphenylphosphino)ethane}ruthenium(II) dichloride 176 5. Synthesis of {CrIII(NCMe)6}(BF4)3 and {CrIII(NCMe)5F} (BF4)2•MeCN 177 A. Hexakis(acetonitrile)chromium(III) tetrafluoroborate, {CrIII(NCMe)6}(BF4)3 177 B. Pentakis(acetonitrile)fluorido chromium(III) tetrafluoroborate, {CrIIIF(NCMe)5}(BF4)2 178 6. (1R,2R-diaminocyclohexane)oxalatoplatinum(II), oxaliplatin 179 7. Tris(dibenzylideneacetone)dipalladium(0) 183 A. Synthesis of Pd2dba3·CHCl3 185 B. Purity determination and repurification of Pd2dba3 186 C. Stability 187 8. Tetraalkylammonium salts of tetra(fluoroaryl)borate anions 188 A. Tetraalkylammonium salts of [B(C6F5)4]− 189 B. Tetraalkylammonium salts of [B{C6H3-3,5-(CF3)2}4]− 191 9. Titanium tris(N-tert-butyl, 3,5-dimethylanilide) 193 10. Tetrachlorido(tetramethylethylenediamine)tantalum(IV),TaCl4(TMEDA) 196 A. Tetrachlorido(tetramethylethyenediamine)tantalum(IV),TaCl4(TMEDA) 197 11. Synthesis of 1,3,5-tri-tert-butylcyclopenta-1,3-diene and its metal complexes Na{1,2,4-(Me3C)3C5H2} and Mg{η5-1,2,4-(Me3C)3C5H2}2 199 A. Method A (Phase Transfer) 199 B. Method B (Grignard Procedure) 201 C. Sodium(1,2,4-tri-tert-butyl)cyclopentadienide 203 D. Magnesium(II)bis(1,2,4-tri-tert-butyl)cyclopentadienide 203 Cumulative Contributor Index 205 Cumulative Subject Index 215 Cumulative Formula Index 245

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Book SynopsisThe current volume continues the tradition of the Organic Syntheses series, providing carefully checked and edited experimental procedures that describe important synthetic methods, transformations, reagents, and synthetic building blocks or intermediates with demonstrated utility in organic synthesis. These significant and interesting procedures should prove worthwhile to many synthetic chemists working in increasingly diverse areas. A trusted guide for professionals in organic and medicinal chemistry in academia, government, and industries, including pharmaceuticals, fine chemicals, agrochemicals, and biotechnological products.Table of ContentsPreparation of Aryl Alkyl Ketenes 1Nicholas D. Staudaher, Joseph Lovelace, Michael P. Johnson, and Janis Louie Preparation of Diisopropylammonium Bis(catecholato)cyclohexylsilicate 16Kingson Lin, Christopher B. Kelly, Matthieu Jouffroy, and Gary A.Molander Continuous Flow Hydration of Pyrazine-2-carbonitrile in a Manganese Dioxide Column Reactor 34Claudio Battilocchio, Shing-Hing Lau, Joel M. Hawkins, and Steven V. Ley Site-Selective C-H Fluorination of Pyridines and Diazines with AgF2 46Patrick S. Fier and John F. Hartwig Site-Selective C-H Fluorination of Pyridines and Diazines with AgF2 46Patrick S. Fier and John F. Hartwig Ugi Multicomponent Reaction 54André Boltjes, Haixia Liu, Haiping Liu, and Alexander Dömling Palladium-catalyzed External-CO-Free Reductive Carbonylation of Bromoarenes 66Hideyuki Konishi, Masataka Fukuda, Tsuyoshi Ueda, and Kei Manabe Practical Syntheses of [2,2′-bipyridine]bis[3,5-difluoro-2- [5-(trifluoromethyl)-2 pyridinyl]phenyl]iridium(III) hexafluorophosphate, [Ir{dF(CF3)ppy}2(bpy)]PF6 and [4,4′-bis (tert-butyl) 2,2′-bipyridine]bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]iridium(III) hexafluorophosphate, [Ir{dF(CF3)ppy}2 (dbbpy)]PF6 77Martins S. Oderinde and Jeffrey W. Johannes (Z)-Enol p-Tosylate Derived from Methyl Acetoacetate: A Useful Cross-coupling Partner for the Synthesis of Methyl (Z)-3-Phenyl (or Aryl)-2-butenoate 93Yuichiro Ashida, Hidefumi Nakatsuji, and Yoo Tanabe Synthesis of Allenyl Mesylate by a Johnson-Claisen Rearrangement. Preparation of 3-(((tert-butyldiphenyl- silyl)oxy)methyl)penta-3,4-dien-1-yl methanesulfonate 109Joseph E. Burchick. Jr., Sarah M. Wells, and Kay M. Brummond Rhodium(I)-catalyzed Allenic Pauson–Khand Reaction 123Joseph E. Burchick. Jr., Sarah M. Wells, and Kay M. Brummond Dirhodium (II) tetrakis[N-4-bromo-1,8-naphthoyl-(S)-tert-leucinate] 136Hélène Lebel, Henri Piras, and Johan Bartholoméüs Buta-2,3-dien-1-ol 153Hongwen Luo, Dengke Ma, and Shengming Ma Fragment Coupling and Formation of Quaternary Carbons by Visible-Light Photoredox Catalyzed Reaction of tert-Alkyl Hemioxalate Salts and Michael Acceptors 167Christopher R. Jamison, Yuriy Slutskyy, and Larry E. Overman N-Methoxy-N-methylcyanoformamide 184Jeremy Nugent and Brett D. Schwartz 4-Cyano-2-methoxybenzenesulfonyl Chloride 198Elliott D. Bayle, Niall Igoe, and Paul V. Fish Preparation of N-Trifluoromethylthiosaccharin: A Shelf-Stable Electrophilic Reagent for Trifluoromethylthiolation 217Jiansheng Zhu, Chunhui Xu, Chunfa Xu, and Qilong Shen Homologation of Boronic Esters with Lithiated Epoxides 234Roly J. Armstrong and Varinder K. Aggarwal Asymmetric Michael Reaction of Aldehydes and Nitroalkenes 252Yujiro Hayashi and Shin Ogasawara Preparation of anti-1,3-Amino Alcohol Derivatives Through an Asymmetric Aldol-Tishchenko Reaction of Sulfinimines 259Pamela Mackey, Rafael Cano, Vera M. Foley, and Gerard P. McGlacken Rhenium-Catalyzed ortho-Alkylation of Phenols 280Yoichiro Kuninobu, Masaki, Yamamoto, Mitsumi Nishi, Tomoyuki Yamamoto, Takashi Matsuki, Masahito Murai, and Kazuhiko Takai Enantioselective Preparation of 5-Oxo-5,6-dihydro-2H-pyran-2-yl phenylacetate via organocatalytic Dynamic Kinetic Asymmetric Transformation (DyKAT) 292Tamas Benkovics, Adrian Ortiz, Gregory L. Beutner, and Chris Sfouggatakis Preparation of Sodium Heptadecyl Sulfate (Tergitol-7i) 303Brent A. Banasik and Mansour Samadpour Catalytic Enantioselective Addition of Diethyl Phosphite to N-Thiophosphinoyl Ketimines: Preparation of (R)-Diethyl (1-Amino-1-phenylethyl)phosphonate 313Shaoquan Lin, Yasunari Otsuka, Liang Yin, Naoya Kumagai, and Masakatsu Shibasaki Water-promoted, Open-flask Synthesis of Amine-boranes: 2-Methylpyridine-borane (2-Picoline-borane) 332Ameya S. Kulkarni and P. Veeraraghavan Ramachandran Preparation of N-Sulfinyl Aldimines using Pyrrolidine as Catalyst via Iminium Ion Activation 346Sara Morales, Alfonso García Rubia, Eduardo Rodrigo, José Luis Aceña, José Luis García Ruano, and M. Belén Cid Synthesis of N-Boc-N-Hydroxymethyl-L-phenylalaninal 358Jae Won Yoo, Youngran Seo, Dongwon Yoo, and Young Gyu Kim Synthesis of Methyl trans-Oxazolidine-5-carboxylate, a Chiral Synthon for threo-β-Amino-α-hydroxy Acid 372Youngran Seo, Jae Won Yoo, Yoonjae Lee, Boram Lee, Bonghyun Kim, and Young Gyu Kim Preparation of Benzyl((R)-2-(4-(benzyloxy)phenyl)-2-((tert- butoxycarbonyl)amino)acetyl)-D-phenylalaninate using Umpolung Amide Synthesis 388Matthew T. Knowe, Sergey V. Tsukanov, and Jeffrey N. Johnston

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Book SynopsisThis book combines emulsion knowledge into a single, comprehensive volume, ideal for professionals and students involved in the areas of pharmaceutical science who are looking to learn about this emergent research concept. Compiles the step-by-step investigations made concerning the potential of nanosized emulsions on both drug delivery and drug targeting areas by different group of scientists in various laboratories across the world Inverts the common nano-emulsions coverage trend of focusing on focused on the particulate system itself, instead exploring the way to turn nanosized emulsions as biomedical tool, as well as, treating the in vitro and in vivo aspects after administration Provides an overview of the current state-of-the art regarding the development of tocol emulsions, emulsion adjuvants in immunization research, oxygen-carrying emulsions (called as fluorocarbon emulsion) and emulsions for delivering drugs to nasal and topical (ocular Table of ContentsList of Contributors ix Foreword xi Preface xiii 1. Introduction: An Overview of Nanosized Emulsions 1 2. Formulation Development of Oil-In-Water Nanosized Emulsions 19 3. Characterization and Safety Assessment F Oil-In-Water Nanosized Emulsions 69 4. Manufacturing and Positioning (Generations) of Oil-In-Water Nanosized Emulsions 169 5. Biofate of Nanosized Emulsions 225 6. Medical or Therapeutical Applications of Oil-In-Water Nanosized Emulsions 259 Part I: Overview of Tocol-Based Emulsions, Oxygen-Carrying Emulsions, Emulsions With Double or Triple Cargos and Emulsion-Like Dispersions 287 7. Overview of Tocol‐Based Emulsions, Oxygen‐Carrying Emulsions, Emulsions With Double or Triple Cargos and Emulsion‐Like Dispersions 289 7.1. Tocol-Based Nanosized Emulsions 291 7.2. Oxygen-Carrying Emulsions 301 7.3. Nanosized Emulsions For Multiple Medicament Loadings, Imaging, and Theranostic Purposes 321 7.4. Emulsion-Like Dispersions 347 Part II: Selected Case Studies 369 8. Selected Case Studies 371 8.1. Case Study 1 - Cationic Nanosized Emulsions: Narration of Commercial Success 373 8.2. Case Study 2 - Fish Oil-Based Nanosized Emulsions 389 Index 423

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Book SynopsisPERSPECTIVES ON STRUCTURE AND MECHANISM IN ORGANIC CHEMISTRY Beyond the basics physical organic chemistry textbook, written for advanced undergraduates and beginning graduate students Based on the author's first-hand classroom experience, Perspectives on Structure and Mechanism in Organic Chemistry uses complementary conceptual models to give new perspectives on the structures and reactions of organic compounds, with the overarching goal of helping students think beyond the simple models of introductory organic chemistry courses. Through this approach, the text better prepares readers to develop new ideas in the future. In the 3rd Edition, the author thoroughly updates the topics covered and reorders the contents to introduce computational chemistry earlier and to provide a more natural flow of topics, proceeding from substitution, to elimination, to addition. About 20% of the 438 problems have been either replaced or updated, with answers available in the companion solutions manual. To remind students of the human aspect of science, the text uses the names of investigators throughout the text and references material to original (or accessible secondary or tertiary) literature as a guide for students interested in further reading. Sample topics covered in Perspectives on Structure and Mechanism in Organic Chemistry include: Fundamental concepts of organic chemistry, covering atoms and molecules, heats of formation and reaction, bonding models, and double bondsDensity functional theory, quantum theory of atoms in molecules, Marcus Theory, and molecular simulationsAsymmetric induction in nucleophilic additions to carbonyl compounds and dynamic effects on reaction pathwaysReactive intermediates, covering reaction coordinate diagrams, radicals, carbenes, carbocations, and carbanionsMethods of studying organic reactions, including applications of kinetics in studying reaction mechanisms and Arrhenius theory and transition state theory A comprehensive yet accessible reference on the subject, Perspectives on Structure and Mechanism in Organic Chemistry is an excellent learning resource for students of organic chemistry, medicine, and biochemistry. The text is ideal as a primary text for courses entitled Advanced Organic Chemistry at the upper undergraduate and graduate levels.Table of ContentsPreface xi Chapter 1 Fundamental Models of Organic Chemistry 1 1.1 Atoms and Molecules 1 Basic Concepts 1 Molecular Dimensions 5 1.2 Heats of Formation and Reaction 8 Experimental Determination of Heats of Formation 8 Bond Increment Calculation of Heats of Formation 10 Group Increment Calculation of Heats of Formation 11 Heats of Formation and the Concept of Protobranching 13 Homolytic and Heterolytic Bond Dissociation Energies 15 1.3 Bonding Models 18 Electronegativity and Bond Polarity 20 Complementary Theoretical Models of Bonding 23 Pictorial Representations of Bonding Concepts 27 sp3 Hybridization 28 Are There sp3 Hybrid Orbitals in Methane? 30 Hybridization and Molecular Geometry 34 Variable Hybridization 35 1.4 Complementary Models for the Double Bond 41 The σ,π Description of Ethene 41 The Bent Bond Description of Ethene 42 Predictions of Physical Properties with the Two Models 42 1.5 The Role of Complementary Models in Organic Chemistry 46 Problems 47 Chapter 2 Introduction to Computational Chemistry 53 2.1 Hückel Molecular Orbital Theory 53 Correlation of Physical Properties with Results of HMO Calculations 63 Other Parameters Generated Through HMO Theory 67 Properties of Odd Alternant Hydrocarbons 69 The Frost Circle 74 2.2 Aromaticity 75 Benzene 77 Other Aromatic Systems 81 Polycyclic Conjugated Systems 85 Larger Annulenes 90 Dewar Resonance Energy and Absolute Hardness 93 2.3 Contemporary Computational Methods 95 Extended Hückel Theory 95 Semiempirical Methods 96 Ab Initio Theory 97 2.4 Localized Molecular Orbitals 100 Perturbational Molecular Orbital Theory 104 Atoms in Molecules 108 2.5 Density Functional Theory 112 2.6 Another Look at Valence Bond Theory 114 Resonance Structures and Resonance Energies 114 Interpreting Computational Results 117 Problems 119 Chapter 3 Stereochemistry 127 3.1 Representations of Three-Dimensional Structures 127 3.2 Stereoisomerism 130 Isomerism 130 Symmetric, Asymmetric, Dissymmetric, and Nondissymmetric Molecules 133 Fischer Projections 146 Additional Stereochemical Designations 149 3.3 Physical Manifestations of Chirality 159 Optical Activity 159 Configuration and Optical Activity 161 Other Physical Properties of Stereoisomers 166 3.4 Stereotopicity 167 Stereochemical Relationships of Substituents 167 Chirotopicity and Stereogenicity 171 Problems 172 Chapter 4 Molecular Geometry and Steric Energy 183 4.1 Designation of Molecular Conformation 183 4.2 Conformational Analysis 187 Torsional Strain 187 van der Waals Strain 191 Angle Strain and Baeyer Strain Theory 193 Application of Conformational Analysis to Cycloalkanes 194 Conformational Analysis of Substituted Cyclohexanes 198 4.3 Molecular Mechanics 204 4.4 Anomeric Effect 221 4.5 Strain and Molecular Stability 225 Problems 237 Chapter 5 Reactive Intermediates 243 5.1 Reaction Coordinate Diagrams 243 5.2 Radicals 244 Early Evidence for the Existence of Radicals 244 Detection and Characterization of Radicals 246 Structure and Bonding of Radicals 251 Thermochemical Data for Radicals 253 Generation of Radicals 255 Radical Chain Reactions 256 5.3 Carbenes 263 Structure and Geometry of Carbenes 263 Generation of Carbenes 267 Reactions of Carbenes 268 5.4 Carbocations 272 Carbonium Ions and Carbenium Ions 272 Structure and Geometry of Carbocations 274 The 2-Norbornyl Cation 281 Carbocation Rearrangements 283 Radical Cations 285 5.5 Carbanions 290 Generation of Carbanions 294 Stability of Carbanions 296 Reactions of Carbanions 296 5.6 Choosing Models of Reactive Intermediates 298 Problems 299 Chapter 6 Determining Reaction Mechanisms 305 6.1 Reaction Mechanisms 305 6.2 Methods to Determine Reaction Mechanisms 306 Identification of Reaction Products 306 Determination of Intermediates 306 Crossover Experiments 311 Isotopic Labeling 313 Stereochemical Studies 314 Solvent Effects 315 Computational Studies 317 6.3 Applications of Kinetics in Studying Reaction Mechanisms 319 6.4 Arrhenius Theory and Transition State Theory 326 6.5 Reaction Barriers and Potential Energy Surfaces 337 6.6 Kinetic Isotope Effects 348 Primary Kinetic Isotope Effects 349 Secondary Kinetic Isotope Effects 354 Tunneling and Isotope Effects 359 Solvent Isotope Effects 362 6.7 Substituent Effects 363 6.8 Linear Free Energy Relationships 368 Problems 383 Chapter 7 Acid and Base Catalysis of Organic Reactions 393 7.1 Acidity and Basicity of Organic Compounds 393 Acid–Base Measurements in Solution 393 Acid–Base Reactions in the Gas Phase 402 Comparison of Gas Phase and Solution Acidities 408 Acidity Functions 410 7.2 Acid and Base Catalysis of Chemical Reactions 413 Specific Acid Catalysis 413 General Acid Catalysis 414 Brønsted Catalysis Law 417 7.3 Acid and Base Catalysis of Reactions of Carbonyl Compounds and Carboxylic Acid Derivatives 418 Addition to the Carbonyl Group 418 Enolization of Carbonyl Compounds 422 Hydrolysis of Acetals 426 Acid-Catalyzed Hydrolysis of Esters 428 Alkaline Hydrolysis of Esters 431 Hydrolysis of Amides 437 Problems 441 Chapter 8 Substitution Reactions 449 8.1 Introduction 449 8.2 Nucleophilic Aliphatic Substitution 450 8.3 The SN1 Reaction 453 Kinetics 453 Structural Effects in SN1 Reactions 454 Solvent Polarity and Nucleophilicity 455 Solvated Ions and Ion Pairs 459 Anchimeric Assistance in SN1 Reactions 464 Nonclassical Carbocations in SN1 Reactions 469 8.4 The SN2 Reaction 471 Stereochemistry 471 Solvent Effects 473 Substrate Effects 477 8.5 Quantitative Measures of Nucleophilicity 480 Brønsted Correlations 481 Hard–Soft Acid–Base Theory and Nucleophilicity 482 Edwards Equations 483 Swain-Scott Equation 484 Mayr Equations 485 The α-Effect 488 Leaving Group Effects in SN2 Reactions 489 Aliphatic Substitution and Single Electron Transfer 490 8.6 Electrophilic Aromatic Substitution 495 The SEAr Reaction 495 Quantitative Measurement of SEAr Rate Constants: Partial Rate Factors 498 Lewis Structures as Models of Reactivity in SEAr Reactions 500 8.7 Nucleophilic Aromatic and Vinylic Substitution 504 Nucleophilic Aromatic Substitution 504 Nucleophilic Vinylic Substitution 509 8.8 Substitution Involving Benzyne Intermediates 511 8.9 Radical-Nucleophilic Substitution 518 8.10 The Impermanence of Mechanistic Labels 521 Problems 521 Chapter 9 Elimination Reactions 529 9.1 Introduction 529 9.2 Dehydrohalogenation and Related 1,2-Elimination Reactions 534 Potential Energy Surfaces for 1,2-Elimination 534 Competition Between Substitution and Elimination 540 Stereochemistry of 1,2-Elimination Reactions 541 Elimination Reactions to Produce Alkynes 547 Regiochemistry of 1,2-Elimination Reactions 548 9.3 Other 1,2-Elimination Reactions 558 Dehalogenation of Vicinal Dihalides 558 Dehydration of Alcohols 561 Deamination of Amines 568 Pyrolytic Eliminations 572 Problems 578 Chapter 10 Addition Reactions 587 10.1 Introduction 587 10.2 Addition of Halogens to Alkenes 588 Electrophilic Addition of Bromine to Alkenes 588 Role of Charge-Transfer Complexes in Bromine Addition Reactions 592 Kinetics of Bromine Addition Reactions 593 Solvent Effects in Bromine Additions 596 Reversibility of Bromine Addition 598 Intermediates in the Addition of Bromine to Alkyl-Substituted Alkenes 599 Intermediates in the Addition of Bromine to Aryl-Substituted Alkenes 604 Summary of Bromine Addition 608 Addition of Other Halogens to Alkenes 609 10.3 Other Addition Reactions 618 Addition of Hydrogen Halides to Alkenes 618 Hydration of Alkenes 625 Oxymercuration 628 Hydroboration 632 Epoxidation 637 Electrophilic Addition to Alkynes and Cumulenes 639 Nucleophilic Addition to Alkenes and Alkynes 647 Nucleophilic Addition to Carbonyl Compounds 651 Problems 656 Chapter 11 Pericyclic Reactions 661 11.1 Introduction 661 11.2 Electrocyclic Transformations 665 Definitions and Selection Rules 665 MO Correlation Diagrams 670 State Correlation Diagrams 675 11.3 Sigmatropic Reactions 678 Selection Rules for Sigmatropic Reactions 679 Other Examples of Sigmatropic Reactions 687 11.4 Cycloaddition Reactions 691 Introduction 691 Ethene Dimerization 692 The Diels–Alder Reaction 694 Selection Rules for Cycloaddition Reactions 698 11.5 Other Pericyclic Reactions 705 Cheletropic Reactions 705 Double Group Transfer Reactions 707 Ene Reactions 709 11.6 A General Selection Rule for Pericyclic Reactions 711 11.7 Alternative Conceptual Models for Pericyclic Reactions 713 Frontier Molecular Orbital Theory 713 Hückel and Möbius Aromaticity of Transition Structures 719 Synchronous and Nonsynchronous Pericyclic Reactions 725 Potential Energy Surfaces and Ambimodal Reactions 729 11.8 Reaction Dynamics and Potential Energy Surfaces 729 Problems 735 Chapter 12 Organic Photochemistry 745 12.1 Energy and Electronic States 745 12.2 Photophysical Processes 747 Designation of Spectroscopic Transitions 748 Selection Rules for Radiative Transitions 754 Fluorescence and Phosphorescence 756 Energy Transfer and Electron Transfer 759 12.3 Photochemical Kinetics 763 Actinometry and Quantum Yield Determinations 763 Rate Constants for Unimolecular Processes 764 Transient Detection and Monitoring 765 Bimolecular Decay of Excited States: Stern–Volmer Kinetics 768 12.4 Physical Properties of Excited States 770 Acidity and Basicity in Excited States 770 Bond Angles and Dipole Moments of Excited-State Molecules 774 12.5 Representative Photochemical Reactions 777 Photochemical Reactions of Alkenes and Dienes 778 Photochemical Reactions of Carbonyl Compounds 790 Photochemical Reactions of α,ß-Unsaturated Carbonyl Compounds 798 Photochemical Reactions of Aromatic Compounds 800 Photosubstitution Reactions 802 σ Bond Photodissociation Reactions 803 Singlet Oxygen and Organic Photochemistry 808 12.6 Applications of Organic Photochemistry 811 Problems 822 References for Selected Problems 831 Index 837

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Book SynopsisSOLUTIONS MANUAL FOR PERSPECTIVES ON STRUCTURE AND MECHANISM IN ORGANIC CHEMISTRY Based on the author's first-hand classroom experience, this solutions manual complements the 3rd edition of Perspectives on Structure and Mechanism in Organic Chemistry. The solutions to the 438 textbook problems help students increase their understanding of physical organic chemistry, and more than 550 references stimulate their engagement with the chemical literature.Table of ContentsChapter 1 Fundamental Models of Organic Chemistry 1 Chapter 2 Introduction to Computational Chemistry 11 Chapter 3 Stereochemistry 31 Chapter 4 Molecular Geometry and Steric Energy 49 Chapter 5 Reactive Intermediates 57 Chapter 6 Determining Reaction Mechanisms 65 Chapter 7 Acid and Base Catalysis of Organic Reactions 73 Chapter 8 Substitution Reactions 81 Chapter 9 Elimination Reactions 93 Chapter 10 Addition Reactions 105 Chapter 11 Pericyclic Reactions 117 Chapter 12 Organic Photochemistry 133

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Book SynopsisThe Art of Problem Solving in Organic Chemistry The new edition of the classic textbook that has helped thousands of students understand and solve the complex mechanistic problems posed by organic reactions The Art of Problem Solving in Organic Chemistry is a must-have workbook for students and professionals alike, offering step-by-step guidance on applying proven strategies and logical techniques to solve complex reaction mechanism problems. The book is organized in two sections: The Toolbox and the Problem Chest. The first part is presented in four chapters covering advanced contemporary issues of molecular structure and orbital configuration, stereoelectronic constraints, electron shifts, redeployment and arrow-pushing allowances and pitfalls, as well as functional groups roles and key intermediate species, all of which dominate the reaction mechanism scenario. These concepts are rounded up by a series of time-tested problem analysis strategies and thinking routes shown in flowcharts and illustrated by application to specific cases. The Problem Chest puts together a set of 50 newly selected fully discussed mechanism problems of increasing difficulty, in which all the power of the Toolbox paraphernalia is put to work. Now in its third edition, The Art of Problem Solving in Organic Chemistry retains the structure of previous editions, previously rated among the 30 best organic chemistry books of all time by BookAuthority. More than 50 revised organic reaction mechanism problems are complemented by an entirely new set of problems, additional concepts and techniques, expanded coverage of applications in contemporary organic chemistry, embedded cases of the existing reaction pool taken from recent literature, and much more. Describes the principles, methods, tools, and problem analysis techniques required to solve organic reaction problemsExtends the logic and strategy of the mechanistic approach beyond specific reactions and factsDiscusses practical methods for improved problem solving for organic reaction mechanismsExplains tested strategies for analyzing the possibilities of reaction mechanisms between reactants and productsContains detailed appendices with definitions and examples of principles, reactions, mechanisms, and reagents The Art of Problem Solving in Organic Chemistry, Third Edition is an essential volume for advanced undergraduates, graduate students, lecturers, and professionals looking to improve their performance in finding solutions to organic reaction problems. It is an ideal textbook for courses on organic reactions and problem analysis, as well as an excellent supplement for courses covering reactive intermediates and mechanisms of molecular transformations.Table of ContentsPreface ix Acknowledgements xiii Where Does This Book Level Start How Far Does It Take You? xv Part I The Toolbox 1 1 Introduction to Problem Analysis in Advanced Organic Reaction Mechanism 3 1.1 Overview 3 1.2 The First Three Steps in Problem Analysis 4 1.2.1 A Bird’s Eye Overview 4 1.2.2 Change the Molecular Rendering to a Familiar Framework 4 1.2.3 Go for the Relevant, Skip the Superficial Information 5 1.3 Moving Beyond the Primary Answers 7 1.4 Drawing a Preliminary Outline for Guidance 7 1.5 Intuition and Problem Solving 8 1.6 Summing Up 9 1.7 Solution to the 14 → 16 Conversion in Scheme I.5 10 References and Notes 10 2 Electron Flow in Organic Reactions 11 2.1 Overview 11 2.2 Introduction 12 2.2.1 A Word or Two on Notation 13 2.2.1.1 Lewis Notation and Line Renderings 13 2.2.1.2 Curved or “Curly” Arrows 14 2.3 Electrons in Covalent Bonding and Redeployment 14 2.3.1 A Preliminary Review of the Essentials 14 2.3.1.1 Electrons and Covalent Bonds: The Still Unsolved Fundamental Questions 14 2.4 Practical Rules Governing Electron Redeployment 15 2.4.1 Issue 1: Electrons Reside Within Orbitals 15 2.4.1.1 The Question of Orbital Restrictions and Electron Deployment 15 2.4.2 Issue 2: The Electron Shield Concept Contributes to Covalent Bonds 18 2.4.2.1 Carbocations 18 2.4.2.2 Carbon Dications 20 2.4.3 Issue 3: AO/MO Overlap is a Requirement for σ and π Bond Formation 21 2.4.3.1 AO/MO Limits and the Quantum Tunneling Effect 26 2.4.4 Issue 4: Electron Traffic and Stereochemistry 27 2.4.5 Issue 5: Electron Energy Level and Accessibility 28 2.4.6 Issue 6: Electron Flow and Molecular Active Sectors 30 2.4.7 Issue 7: Electron Flow and Compatible AO Types 32 2.4.7.1 σ–σ Interactions 33 2.4.7.2 σ–π Interactions 35 2.4.7.3 π–π Interactions 41 2.4.8 Issue 8: Electron Flow, Delocalization of Bonding and Non-bonding Electrons, Resonance Stabilization 44 2.4.8.1 Non-bonding Electron Pairs (NBPs) 44 2.4.9 Issue 9: Electron Traffic and Electronic Density Differences 49 2.4.9.1 Detecting Potential Donors and Acceptors 49 2.4.9.2 What Makes a Given Functional Group a Natural HEDZ or LEDZ? 50 2.4.9.3 A Reminder Takeaway 51 2.4.9.4 Quantum-mechanical Computations and Mechanism 53 2.4.10 Issue 10: Electron Traffic on Account of LEDZ Alone 54 2.4.10.1 Hidden LEDZs Triggering Deep-rooted Skeletal Rearrangements 56 2.4.10.2 Remote C–H Activation by LEDZ and Radicals 56 2.4.11 Issue 11: Inverting the Natural Electron Flow, Umpolung 59 2.4.11.1 Umpolung Successful Accomplishments 60 2.4.11.2 The Nitrogen Heterocycle Carbenes (NHC) in Carbonyl Umpolung 62 2.4.11.3 Umpolung of C=O through Imine Derivatives 63 2.4.11.4 The Hydrazone Way to C=O Umpolung 69 2.4.12 Issue 12: One-electron Flow 71 2.4.12.1 Radicals, Reminder Takeaways 71 2.4.12.2 Carbenes, Overview, and Electron Redeployment 76 2.5 Summing Up 84 2.6 Organized Problem Analysis with the Tools Described so Far 85 2.7 Supplementary Schemes: Solutions to Problems Embedded in this Chapter 86 Notes 89 3 Stereochemistry and Mechanism of Molecular Transformations 93 3.1 Overview 93 3.2 Introduction 94 3.2.1 The Question of Planar Molecules and Deviations, an Approach to Steric Effects 94 3.2.1.1 Planar 2D versus 3D 94 3.2.1.2 Perturbation of Planarity by Substituents; Approaching Steric Effects 97 3.2.1.3 Interaction of Distant C=C Bonds by Stereochemical Proximity 100 3.3 Measuring Steric Hindrance 102 3.3.1 The Roadblocks Ahead 102 3.3.2 Steric Requisites for Building σ Bonds 102 3.3.3 Reaction Rate Retardation Due to Steric Hindrance 103 3.3.4 The Saga of Purely Steric Effects 103 3.3.4.1 Study Case 1: Substitution (S N 2) of Alkyl Bromides by Sodium Methoxide 105 3.3.4.2 Study Case 2: Hydrolysis of Esters and Esterification of Carboxylic Acids 107 3.3.4.3 Study Case 3: Connolly’s Molecular Volume 109 3.3.4.4 Study Case 4: The Anilines Arylsulfonyl Chloride Model 113 3.3.4.5 Study Case 5: Other Sources of Evidence 115 3.3.5 Steric Acceleration of Reaction Rates 121 3.3.5.1 Steric Acceleration in SN1/E1 Competition during Solvolysis 121 3.3.5.2 Steric Acceleration in the Gas Phase 124 3.3.6 Summary of Steric Hindrance and Reactivity Takeaways 125 3.4 Applications to Stereochemically Competent Reaction Mechanisms 127 3.4.1 A Case of Regio and Stereoselective Reaction in a Sterically Simple Compound 127 3.4.2 The Role of Steric Umbrellas 129 3.5 Stereochemistry in Bimolecular Reactions: Cycloadditions 131 3.5.1 The Diels–Alder Cycloaddition: the CA Prototype 132 3.5.1.1 DACA Steric Domain: Essential Takeaways 133 3.5.1.2 DACA Stereoelectronic Domain: Essential Takeaways 134 3.5.1.3 Assessing Steric Effects (SEs) through Products Configuration: the Endo Alders Rule 134 3.5.1.4 The Exo : Endo Ratio and Lewis-acid Catalysis 137 3.5.1.5 Current and Future Prospects for DACA and Other Cycloadditions 138 3.6 The Ultimate Stereo- and Enantio-Control: Oriented External Electric Fields (OEEFS) 139 3.6.1 How OEEF Works 140 3.6.2 OEEF and DACA Stereocontrol 140 3.6.3 The Experimental Array 140 3.7 Summing Up 144 3.8 Supplementary Schemes 145 Notes 146 References 146 4 Additional Techniques to Postulate Organic Reaction Mechanisms 149 4.1 Overview 149 4.2 Take Your Time 150 4.3 Use Clear and Informative Molecular Renderings 150 4.4 Element and Bond Budgets 150 4.5 Looking at Molecules From Different Perspectives 152 4.6 Redraw Reactants Such That They Resemble Products 155 4.7 Fragmentation Analysis (Fa): Dissecting Products in Terms of Reactants 157 4.7.1 The Fundamental Proposition 157 4.7.2 Study Case 1 157 4.7.3 Study Case 2 158 4.7.4 Learning Lessons and Takeaways from FA 161 4.8 Oxidation Levels and Mechanism 163 4.9 The Functionality Number (FN) 164 4.9.1 What Exactly is FN? 164 4.9.2 Organizing Carbon Functionalities in FN Groups 164 4.9.3 Main FN Groups Properties 164 4.9.4 Study Case 1 166 4.9.5 Study Case 2 166 4.9.6 Study Case 3: Heterolytic C–C Cleavage and the Electron Sink 166 4.10 Combining Fragmentation Analysis and Functionality Numbers 169 4.11 A Flowchart to Orderly Exploit the Strategies of this Chapter 170 4.12 Summing Up 171 4.13 Supplementary Reaction Schemes 171 4.14 Solution to Problems Embedded in this Chapter 172 References 172 Part II The Problem Chest 173 Subject Index 389 Graphical Index 391

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Book SynopsisEnergy: An overview.- Solid fuels.- Crude oil.- Liquid fuels.- Alternate fuels.- Gaseous fuels.- Nuclear energy.- Lubrication and lubricants.- Electrochemistry, batteries and fuel cells.- Corrosion.- Polymers and plastics.- Adhesives and adhesion.- Paint and coatings.- Explosives.- Water.- Carbon-based polymers, activate carbons.- Cement, ceramics, and composites.- Semiconductors and nanotechnology.- Epoilogue.Table of ContentsEnergy: An overview.- Solid fuels.- Crude oil.- Liquid fuels.- Alternate fuels.- Gaseous fuels.- Nuclear energy.- Lubrication and lubricants.- Electrochemistry, batteries and fuel cells.- Corrosion.- Polymers and plastics.- Adhesives and adhesion.- Paint and coatings.- Explosives.- Water.- Carbon-based polymers, activate carbons.- Cement, ceramics, and composites.- Semiconductors and nanotechnology.- Epoilogue.

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Book SynopsisThis book introduces readers to the physics governing electron emission under high voltages and temperatures, and highlights recent modeling and numerical developments for describing these phenomena. It begins with a brief introduction, presenting several applications that have driven electron emission research in the last few decades. The authors summarize the most relevant theories including the physics of thermo-field electron emission and the main characteristic parameters. Based on these theories, they subsequently describe numerical multi-physics models and discuss the main findings on the effect of space charges, emitter geometry, pulse duration, etc.Beyond the well-known photoelectric effect, the book reviews recent advanced theories on photon-metal interaction. Distinct phenomena occur when picosecond and femtosecond lasers are used to irradiate a surface. Their consequences on metal electron dynamics and heating are presented and discussed, leading to various emission regimes – in and out of equilibrium. In closing, the book reviews the effects of electron emission on high-voltage operation in vacuum, especially breakdown and conditioning, as the most common examples. The book offers a uniquely valuable resource for graduate and PhD students whose work involves electron emission, high-voltage holding, laser irradiation of surfaces, vacuum or discharge breakdown, but also for academic researchers and professionals in the field of accelerators and solid state physics with an interest in this highly topical area.Table of ContentsChapter 1. Introduction.- Chapter 2. Fundamental Phenomena of the Thermo-Field Emission at Equilibrium.- Chapter 3. Thermal-Field Emission Emitted by a Microtip.- Chapter 4. Vacuum Breakdown.- Chapter 5. Photoemission.

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Book SynopsisThis open access title presents atmospheric simulation chambers as effective tools for atmospheric chemistry research. State-of-the-art simulation chambers provide unprecedented opportunities for atmospheric scientists to perform experiments that address the most important questions in air quality and climate research. The book covers technical details about chamber preparation and practical guidelines on their usage, while also delivering relevant historical and contextual information. It not only serves as a key publication for knowledge transfer within the simulation chamber research community, but it also provides the global atmospheric science community with a unique resource that outlines best practice for the operation of simulation chambers. The authors summarize the latest advances in chamber interoperability and standard protocols in order to provide the research community and the next generations of scientists with a unique technical reference guide for the use of simulation chambers. The volume will be of great interest to researchers and graduates working in the fields of Atmospheric and Environmental Sciences.Table of ContentsIntroduction to atmospheric simulation chambers and their applications.- Physical and chemical characterization of the chamber.- Preparation of simulation chambers for experiments.- Preparation of Experiments: Addition and in-situ production of gas phase trace gas and oxidants.- Preparation of the Experiment: Addition of Particles.- Sampling for Offline Analysis.- Analysis of Chamber Data.- Application of simulation chambers to investigate interfacial processes.- Conclusions.

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Book SynopsisInterpreting Non Covalent Bonds with the Block Localized Wave Function (BLW) Method.- Local Energy Decomposition of Coupled Cluster Energies Principles and Applications.- Electron Density based Energy Decomposition Analysis from QM to QM/MM calculations.- GKS EDA method for intermolecular interactions in complex systems.- SAPT and many body dispersion: Intermolecular interactions at cubic scaling cost.- Survey of contemporary applications of Quantum Chemical Topology.- The Interpenetration Index and its applications in chemistry.- Exhibiting noncovalent interactions in dynamic environments using aIGM method.

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Book SynopsisSurfactants are surface active agents, molecules that have a significant role in emulsions, suspensions, and foams. They find widespread application in personal care, cosmetics, pharmaceuticals, agrochemicals and the food industry. The main objective of this graduate level textbook is to present an overview of the classification, physical properties, phase behavior, their effects and applications of surfactants, e.g. as emulsifiers, foam stabilizer, in nano- and microemulsions and as wetting agents.Table of ContentsFrom the Contents: Introduction Physical Chemistry of Surfactant Solutions Phase Behavior of Surfactant Systems Adsorption of Surfactants at the Air/Liquid and Liquid/Liquid Interfaces Adsorption of Surfactants and Polymeric Surfactants at the Solid/Liquid Interface Application of Surfactants in Emulsion Formation and Stabilization Surfactants as Dispersants Surfactants in Foams Surfactants in Nanoemulsions Surfactants in Microemulsions Role of Surfactants in Wetting, Spreading and Adhesion Surfactants in Personal Care and Cosmetics Surfactants in Pharmaceuticals Surfactants in Agrochemicals Surfactants in Food Products

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Book SynopsisThis introduction to thermodynamics discusses typical phase diagrams features and presents the wide range of techniques such as Differential Scanning Calorimetry, Thermogravimetry and others. In the last part the author brings many examples for typical practical problems often solved by thermal analysis. As an instructive guideline for practitioners the work reveals the connection between experimental data and theoretical model and vice versa.

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Book SynopsisVolume 1 of the Handbook of Colorants Chemistry comprehensively covers the fundamentals of color as well as the underlying scientifi c principles, via the presentation of molecular compositions of inorganic and organic pigments. The author explains the chemical and physical production of color and the infl uence of the physical-geometric pigment parameters on the color shade. This volume also deals with historical and modern pigments, dyes, and binders, as well as their mode of action. The complementary “Volume 2: in Painting, Art and Inks” (ISBN 978-3-11-077700-0) focuses on paints, painting and drawing systems used by the painter and craftsman. The book is supplemented by a comprehensive bibliography with references to standard works, monographs, and original papers. The reader is provided with a unique overview of the fi eld of color chemistry.

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Book SynopsisVolume 2 of the Handbook of Colorant Chemistry focuses on paints, painting and drawing systems used by the painter and craftsman. It describes in detail structure of oil, watercolor, acrylic and ceramic paints, inks, toners, and other drawing systems. From presenting molecular compositions of common paints and inks to a historical look at color chemistry, the author offers an in-depth look at the world of color. The complementary “Volume 1: Dyes and Pigments Fundamentals” (ISBN 978-3-11-077699-7) focuses on paints, painting and drawing systems used by the painter and craftsman. The book is supplemented by a comprehensive bibliography with references to standard works, monographs, and original papers. The reader is provided with a unique overview of the fi eld of color chemistry.

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Book SynopsisMany brewers and craft beer drinkers have dreams of working at or owning a brewery. Chemists and Biologists are a very natural fit in the brewing industry given their training, background and interests in exploring the world around them. This book supports that natural curiosity through a series of interviews with these individuals who work in the brewing industry at all levels of employment from the lab manager to working as brewery staff to starting a brewery.

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Book SynopsisThis textbook is an introduction to the Brownian motion of colloids and nano-particles, and the diffusion of molecules. One very appealing aspect of Brownian motion, as this book illustrates, is that the subject connects a broad variety of topics, including thermal physics, hydrodynamics, reaction kinetics, fluctuation phenomena, statistical thermodynamics, osmosis and colloid science. The book is based on a set of lecture notes that the authors used for an undergraduate course at the University of Utrecht, Netherland. It aims to provide more than a simplified qualitative description of the subject, without getting bogged down in difficult mathematics. Each chapter contains exercises, ranging from straightforward ones to more involved problems, addressing instances from (thermal motion in) chemistry, physics and life sciences. Exercises also deal with derivations or calculations that are skipped in the main text. The book offers a treatment of Brownian motion on a level appropriate for bachelor/undergraduate students of physics, chemistry, soft matter and the life sciences. PhD students attending courses and doing research in colloid science or soft matter will also benefit from this book.Table of Contents

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Book SynopsisDem Leser wird ein Überblick über die wichtigen Erscheinungsformen des Magnetismus gegeben. Auf eine ausführliche Beschreibung der Messmethoden mit hilfreichen Details aus der Praxis der Magnetochemie wird Wert gelegt. Das Einheitensystem SI wird konsequent angewendet. Die wesentlichen mathematischen Methoden und Ableitungen werden anschaulich anhand zahlreicher Beispiele dargestellt.Table of ContentsMagnetische Kenngrößen - Erscheinungsformen des Magnetismus - Theorie freier d- und f-Ionen - Einfluss der Umgebung I: Ligandenfeld (d- und f- Elemente) - Einfluss der Umgebung II: Kooperative magnetische Effekte (Cluster, 1-, 2-, 3-dimensionale Systeme) - Kopplung von Drehimpulsen - Irreduzible Tensor-Operatoren

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Book Synopsis1 Einführung und Definitionen.- 2 Systemkomponenten.- 3 Leistungshalbleiter.- 4 Beschaltung, Zündung, Kühlung und Schutzeinrichtungen.- 5 Schaltvorgänge und Kommutierung.- 6 Halbleiterschalter und -steller.- 7 Fremdgeführte Stromrichter.- 8 Selbstgeführte Stromrichter.- 9 Netze für Stromrichter.- 10 Belastungen für Stromrichter.- 11 Energetische Verhältnisse.- 12 Regelungstechnische Verhältnisse.- 13 Stromrichteranwendungen.- 14 Prüfungen.Table of Contents1 Einführung und Definitionen.- 2 Systemkomponenten.- 3 Leistungshalbleiter.- 4 Beschaltung, Zündung, Kühlung und Schutzeinrichtungen.- 5 Schaltvorgänge und Kommutierung.- 6 Halbleiterschalter und -steller.- 7 Fremdgeführte Stromrichter.- 8 Selbstgeführte Stromrichter.- 9 Netze für Stromrichter.- 10 Belastungen für Stromrichter.- 11 Energetische Verhältnisse.- 12 Regelungstechnische Verhältnisse.- 13 Stromrichteranwendungen.- 14 Prüfungen.

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Book SynopsisThis book provides a rigorous treatment of the coupling of chemical reactions and fluid flow. Combustion-specific topics of chemistry and fluid mechanics are considered and tools described for the simulation of combustion processes. This edition is completely restructured. Mathematical Formulae and derivations as well as the space-consuming reaction mechanisms have been replaced from the text to appendix. A new chapter discusses the impact of combustion processes on the atmosphere, the chapter on auto-ignition is extended to combustion in Otto- and Diesel-engines, and the chapters on heterogeneous combustion and on soot formation are heavily revised.Trade ReviewFrom the reviews of the fourth edition: "This book, now in its fourth edition, is intended as a text for beginning graduate students who are interested in some of the basic elements of combustion processes. …Throughout the book, the level of mathematics is fairly elementary. Thus, the subject can be followed by the targeted audience. … The authors have done an excellent job of organization. … In summary, I enjoyed reading this book and I recommend it. I may consider adopting it as a required text when I teach combustion again." (Peyman Givi, AIAA Journal, Vol. 45 (10), 2007)Table of ContentsIntroduction, Fundamental Definitions and Phenomena.- Experimental Investigation of Flames.- Mathematical Description of Premixed Laminar Flat Flames.- Thermodynamics of Combustion Processes.- Transport Phenomena.- Chemical Kinetics.- Reaction Mechanisms.- Laminar Premixed Flames.- Laminar Nonpremixed Flames.- Ignition Processes.- Low Temperature Oxidation, Engine Knock.- The Navier-Stokes Equations for Three-Dimensional Reacting Flows.- Turbulent Reacting Flows.- Turbulent Nonpremixed Flames.- Turbulent Premixed Flames.- Combustion of Liquid and Solid Fuels.- Formation of Nitric Oxides.- Formation of Hydrocarbons and Soot.- Effects of Combustion Processes on the Atmosphere.- Appendix 1: Mathematics.- Appendix 2: Reaction Mechanisms.

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Book SynopsisThis work had its beginnings in the early 1980s at the University ofWollongong, with significant contributions from Dr. Margret Hamilton, Professors Peter G. Burton and Greg Doherty. The emphasis was to develop computer code to solve the nuclear Schrodinger problem. For bent triatomic molecules the project was fmally realized at the University of Newcastle a decade or so later, with the contribution from Ms. Feng Wan g. Aspects of this work are now taught in the quantum mechanics and electron spectroscopy courses at The University of Newcastle. Even now "complete" ab initio solutions of the time-independent SchrOdinger equation is not commonplace for molecules containing four atoms or more. In fact, when using the Eckart-Watson nuclear Hamiltonian a further restriction needs to be imposed; that is, the molecule is restricted to undergoing small amplitudes of vibration. This Hamiltonian is useful for molecules containing massive nuclei and moreover, has been extremely useful in interpreting the rovibrational spectra of small molecules. Nevertheless, a number of nuclear Hamiltonians that do not embed an equilibrium geometry have become well established and are extremely successful in interpreting rovibrational spectra of floppy molecules. Furthermore, solution algorithms vary greatly from research group to research group and it is still unclear which aspects will survive the next decade. For example, even for a triatomic molecule a general form of a potential function has not yet been uncovered that will generally interpolate with accuracy and precision ab initio discrete surfaces.Table of ContentsI. Historical Review.- II. Nuclear Motion.- III. Discrete Potential Energy Surfaces.- IV. Potential Energy Functions.- V. Finite-Element Solution of One-Dimensional Schrödinger Equations.- VI. Nuclear Schrödinger Formulation for Bent Triatomic Systems.- VII. Solution Algorithm and Integral Evaluation.- VIII. Dipole Moment Surfaces and Radiative Properties.- IX. Applications to Bent Triatomic Molecules.

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Book SynopsisData on the densities of organic compounds is essential for both scientific and industrial applications. A knowledge of densities is important in many areas, including custody transfer of materials, product specification, development of various predictive methods, and for characterizing compounds and estimating their purity. The densities of normal and branched alkanes are collected from the original literature published from 1863 to early 1996. All the values were critically evaluated. The tables contain the original literature data, along with their estimated uncertainties, and the evaluated data, in both numerical form and as coefficients to equations with selected statistical information. The volume also contains the CASR Number Index and a Chemical Name Index.

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Book SynopsisNanocatalysis, a subdiscipline of nanoscience, seeks to control chemical reactions by changing the size, dimensionality, chemical composition, and morphology of the reaction center and by changing the kinetics using nanopatterning of the reaction center. This book offers a detailed pedagogical and methodological overview of the field. Readers discover many examples of current research, helping them explore new and emerging applications.Trade ReviewFrom the reviews: "This book is one in the series Nanoscience and Technology by Springer. It should be useful to chemists, chemical engineers, and material scientists entering the field of nanocatalysts as well as to experts already in the area. … this book on the whole is an excellent contribution. It could be used as a textbook, reference, and starting point for other books in this series. It is easy to read and well organized as well as contains a significant number of graphics of all types." (Steven L. Suib, Journal of the American Chemical Society, Vol. 129 (21), 2007)Table of ContentsChemical and Catalytic Properties of Size-Selected Free and Supported Clusters.- Theory of Metal Clusters on the MgO Surface: The Role of Point Defects.- Catalysis by Nanoparticles.- Lithographic Techniques in Nanocatalysis.- Nanometer and Subnanometer Thin Oxide Films at Surfaces of Late Transition Metals.- Catalytic Applications for Gold Nanotechnology.

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Book Synopsis1 Introduction Data extract from Landolt-Börnstein IV/17: Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures 1. 1 Selection of data This supplement updates Landolt-Börnstein's New Series Group IV (Physical Chemistry) Volume 6, Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures, published in the year 1991 [1991WOH1]. The update provides experimental data published in the years 1991 to 2006. The ?nal date for including data was December, 31st, 2006. Specialization and selection of data for this new update follows the intentions of the original volume. The focus is on non-electrolyte systems, and only data for pure liquids and binary liquid mixtures at normal pr- sure (or in some single cases at the saturation vapor pressure) were taken into account for this volume. No data at higher pressures were collected, no data for the gaseous state, and no data for dielectric relaxation processes at higher frequencies have been included. For mixtures, this data collection is restricted to binary liquid mixtures, i. e. no ternary systems and also no solutions of any solids, salts, electrolytes, polymers are included here. At least, also molten metals and metallic alloys, molten salts, molten glasses and other hi- temperature melts were not taken into account. As the amount of data collected between 1991 and 2006 exceeds the available space for printing by far, the volume has an electronic version containing additional data which is available on www. landolt-boernstein.Table of Contents1 Introduction.- Index of Substances.- Dielectric constant of oxygen.- Dielectric constant of carbon dioxide.- Dielectric constant of carbon disulfide.- Dielectric constant of dideuterium oxide.- Dielectric constant of water.- Dielectric constant of nitrous oxide.- Dielectric constant of diisopropoxy-dimethylsilane.- Dielectric constant of dimethyl-dipropoxysilane.- Dielectric constant of dibutoxy-dimethylsilane.- Dielectric constant of bis(2-butoxy)-dimethylsilane.- Dielectric constant of dimethyl-dipentyloxysilane.- Dielectric constant of dimethyl-bis(2-pentyloxy)silane.- Dielectric constant of bis(2-ethylbutoxy)-dimethylsilane.- Dielectric constant of dimethyl-dihexyloxysilane.- Dielectric constant of dimethyl-diheptyloxysilane.- Dielectric constant of dimethyl-bis(2-heptyloxy)silane.- Dielectric constant of bis(2-ethylhexyloxy)-dimethylsilane.- Dielectric constant of dimethyl-dioctyloxysilane.- Dielectric constant of didecyloxy-dimethylsilane.- Dielectric constant of bis(2-dodecyloxy)-dimethylsilane.- Dielectric constant of hexamethylphosphortriamide.- Dielectric constant of dichlorodifluoromethane.- Dielectric constant of fluorotrichloromethane.- Dielectric constant of tetrachloromethane.- Dielectric constant of tetrafluoromethane.- Dielectric constant of tribromomethane.- Dielectric constant of chlorodifluoromethane.- Dielectric constant of trichloromethane.- Dielectric constant of trifluoromethane.- Dielectric constant of dichloromethane.- Dielectric constant of difluoromethane.- Dielectric constant of formic acid.- Dielectric constant of formamide.- Dielectric constant of nitromethane.- Dielectric constant of methanol.- Dielectric constant of tetrachloroethene.- Dielectric constant of 2-chloro-1,1,1,2-tetrafluoroethane.- Dielectric constant of 2,2-dichloro-1,1,1-trifluoroethane.- Dielectric constant of 1,1,2-trichloroethene.- Dielectric constant of 1,1,1,2,2-pentafluoroethane.- Dielectric constant of 1,1,2,2-tetrachloroethane.- Dielectric constant of 1,1,1,2-tetrafluoroethane.- Dielectric constant of 1-chloro-1,1-difluoroethane.- Dielectric constant of 1,1-dichloro-1-fluoroethane.- Dielectric constant of 1,1,1-trifluoroethane.- Dielectric constant of 2,2,2-trifluoroethanol.- Dielectric constant of acetonitrile.- Dielectric constant of 1,2-dibromoethane.- Dielectric constant of 1,2-dichloroethane.- Dielectric constant of 1,1-difluoroethane.- Dielectric constant of acetic acid.- Dielectric constant of chloroethane.- Dielectric constant of 2-chloroethanol.- Dielectric constant of N-methylformamide.- Dielectric constant of ethanol.- Dielectric constant of dimethylsulfoxide.- Dielectric constant of ethane-1,2-diol.- Dielectric constant of dimethylsulfide.- Dielectric constant of 2-aminoethanol.- Dielectric constant of octafluoropropane.- Dielectric constant of 1,1-dichloro-2,2,3,3,3-pentafluoropropane.- Dielectric constant of 1,3-dichloro-1,1,2,2,3-pentafluoropropane.- Dielectric constant of 1,1,1,2,3,3-hexafluoropropane.- Dielectric constant of 1,1,1,3,3,3-hexafluoropropane.- Dielectric constant of bis(difluoromethoxy)difluoromethane.- Dielectric constant of 1,1,1,3,3-pentafluoropropane.- Dielectric constant of 1-(difluoromethoxy)-1,1,2-trifluoroethane.- Dielectric constant of 2,2,3,3,3-pentafluoropropan-1-ol.- Dielectric constant of 1,1,2,2-tetrafluoro-1-methoxyethane.- Dielectric constant of 2,2,3,3-tetrafluoropropan-1-ol.- Dielectric constant of ethylene carbonate.- Dielectric constant of propan-2-one.- Dielectric constant of methyl acetate.- Dielectric constant of propanoic acid.- Dielectric constant of dimethyl carbonate.- Dielectric constant of N,N-dimethylformamide.- Dielectric constant of propane.- Dielectric constant of propan-1-ol.- Dielectric constant of propan-2-ol.- Dielectric constant of 2-methoxyethanol.- Dielectric constant of propane-1,2-diol.- Dielectric constant of propane-1,3-diol.- Dielectric constant of ethyl methyl sulfone.- Dielectric constant of propane-1,2,3-triol.- Dielectric constant of propylamine.- Dielectric constant of octafluorocyclobutane.- Dielectric constant of undecafluorobutylamine.- Dielectric constant of 1,2-bis(difluoromethoxy)-1,1,2,2-tetrafluoroethane.- Dielectric constant of oxybis[(difluoromethoxy)difluoromethane].- Dielectric constant of 2,2,3,3,4,4,4-heptafluorobutan-1-ol.- Dielectric constant of 1,1,1,2,2-pentafluoro-3-(difluoromethoxy)-propane.- Dielectric constant of 1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)-ethane.- Dielectric constant of 1,1,2,2,3,3-hexafluoro-1-methoxypropane.- Dielectric constant of 1,1,1,3,3,3-hexafluoro-2-methoxypropane.- Dielectric constant of 1,1,2,2-tetrafluoro-1-(2,2-difluoroethoxy)-ethane.- Dielectric constant of 1,1,2,2-tetrafluoro-3-(difluoromethoxy)-propane.- Dielectric constant of 2,2,2-trifluoroethyl methyl carbonate.- Dielectric constant of 1,1,2,2-tetrafluoro-3-methoxypropane.- Dielectric constant of ?-butyrolactone.- Dielectric constant of methyl acrylate.- Dielectric constant of propylene carbonate.- Dielectric constant of 4-(hydroxymethyl)-1,3-dioxolan-2-one.- Dielectric constant of butanenitrile.- Dielectric constant of pyrrolidine-2-one.- Dielectric constant of butan-2-one.- Dielectric constant of tetrahydrofuran.- Dielectric constant of 1,4-dioxane.- Dielectric constant of ethyl acetate.- Dielectric constant of methyl propanoate.- Dielectric constant of tetrahydrothiophene-1,1-dioxide.- Dielectric constant of 1-bromobutane.- Dielectric constant of N,N-dimethylacetamide.- Dielectric constant of N-methylpropionamide.- Dielectric constant of butan-1-ol.- Dielectric constant of butan-2-ol.- Dielectric constant of diethyl ether.- Dielectric constant of 2-methylpropan-1-ol.- Dielectric constant of 2-methylpropan-2-ol.- Dielectric constant of diethylsulfoxide.- Dielectric constant of butane-1,2-diol.- Dielectric constant of butane-1,3-diol.- Dielectric constant of butane-1,4-diol.- Dielectric constant of butane-2,3-diol.- Dielectric constant of 1,2-dimethoxyethane.- Dielectric constant of 2-ethoxyethanol.- Dielectric constant of methyl propyl sulfone.- Dielectric constant of 2-(2-hydroxyethoxy)-ethanol.- Dielectric constant of 2-aminobutane.- Dielectric constant of 1-amino-2-methylpropane.- Dielectric constant of 2-amino-2-methylpropane.- Dielectric constant of butylamine.- Dielectric constant of diethylamine.- Dielectric constant of 1-(difluoromethoxy)-2-[(difluoromethoxy)-difluoromethoxy]-1,1,2,2-tetrafluroethane.- Dielectric constant of 3,3,4,4,5,5,5-heptafluoropentan-2-one.- Dielectric constant of 3,4,4,4-tetrafluoro-3-(trifluoromethyl)-butan-2-one.- Dielectric constant of 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)-butane.- Dielectric constant of pyridine.- Dielectric constant of 3-propylsydnone.- Dielectric constant of ethyl acrylate.- Dielectric constant of methyl methacrylate.- Dielectric constant of ?-valerolactone.- Dielectric constant of ?-valerolactone.- Dielectric constant of 4-ethyl-1,3-dioxolan-2-one.- Dielectric constant of pentanenitrile.- Dielectric constant of N-methylpyrrolidine-2-one.- Dielectric constant of N-formylmorpholine.- Dielectric constant of 1,3-dimethyl-2-imidazolidinone.- Dielectric constant of cyclopentanol.- Dielectric constant of pentan-3-one.- Dielectric constant of 2-methyltetrahydrofuran.- Dielectric constant of ethyl propanoate.- Dielectric constant of methyl butanoate.- Dielectric constant of diethyl carbonate.- Dielectric constant of 3-methoxysulfolane.- Dielectric constant of 1-bromo-3-methylbutane.- Dielectric constant of pentane.- Dielectric constant of 2-methylbutan-1-ol.- Dielectric constant of 2-methylbutan-2-ol.- Dielectric constant of pentan-1-ol.- Dielectric constant of pentan-2-ol.- Dielectric constant of 2,2-dimethylpropane-1,3-diol.- Dielectric constant of 3-methylbutane-1,3-diol.- Dielectric constant of 2-isopropoxyethanol.- Dielectric constant of pentane-1,5-diol.- Dielectric constant of butyl methyl sulfone.- Dielectric constant of hexafluorobenzene.- Dielectric constant of 1,1'-oxybis[2-(difluoromethoxy)-1,1,2,2-tetrafluroethane].- Dielectric constant of 3,3,4,4,5,5,6,6,6-nonafluorohexan-2-one.- Dielectric constant of 1-bromo-2-chlorobenzene.- Dielectric constant of 1-bromo-3-chlorobenzene.- Dielectric constant of 1,2-dichlorobenzene.- Dielectric constant of 2-cyanopyridine.- Dielectric constant of bromobenzene.- Dielectric constant of chlorobenzene.- Dielectric constant of nitrobenzene.- Dielectric constant of benzene.- Dielectric constant of 2-chloroaniline.- Dielectric constant of 3-chloroaniline.- Dielectric constant of 4-fluoroaniline.- Dielectric constant of 4-nitroaniline.- Dielectric constant of aniline.- Dielectric constant of 3-methylpyridine.- Dielectric constant of 4-methylpyridine.- Dielectric constant of 3-methylpyridine-1-oxide.- Dielectric constant of N-vinylpyrrolidin-2-one.- Dielectric constant of 3-butylsydnone.- Dielectric constant of 3-sec-butylsydnone.- Dielectric constant of cyclohexanone.- Dielectric constant of ?-caprolactone.- Dielectric constant of ethyl methacrylate.- Dielectric constant of hexanenitrile.- Dielectric constant of cyclohexane.- Dielectric constant of cyclohexanol.- Dielectric constant of 2,5-dimethyltetrahydrofuran.- Dielectric constant of butyl acetate.- Dielectric constant of ethyl butanoate.- Dielectric constant of 2-methylpropyl acetate.- Dielectric constant of 2,4-dimethylsulfolane.- Dielectric constant of 1-chlorohexane.- Dielectric constant of 1-iodohexane.- Dielectric constant of cyclohexylamine.- Dielectric constant of hexane.- Dielectric constant of diisopropyl ether.- Dielectric constant of hexan-1-ol.- Dielectric constant of 2-methylpentan-1-ol.- Dielectric constant of 2-butoxyethanol.- Dielectric constant of hexane-2,5-diol.- Dielectric constant of 2-isobutoxyethanol.- Dielectric constant of 2-methylpentane-2,4-diol.- Dielectric constant of 2-(2-ethoxyethoxy)ethanol.- Dielectric constant of hexane-1,2,6-triol.- Dielectric constant of triethylene glycol.- Dielectric constant of dipropylamine.- Dielectric constant of triethylamine.- Dielectric constant of tetradecafluoromethylcyclohexane.- Dielectric constant of 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-one.- Dielectric constant of 2-chlorobenzotrifluoride.- Dielectric constant of ethyl perfluoropentyl ether.- Dielectric constant of 2-trifluoromethylaniline.- Dielectric constant of 3-trifluoromethylaniline.- Dielectric constant of 1-bromo-2-methoxybenzene.- Dielectric constant of perfluorobutyl propyl ether.- Dielectric constant of methyl isonicotinate.- Dielectric constant of 2-nitrotoluene.- Dielectric constant of 3-nitrotoluene.- Dielectric constant of toluene.- Dielectric constant of methoxybenzene.- Dielectric constant of benzyl alcohol.- Dielectric constant of 2,6-dimethylpyridine.- Dielectric constant of 2-methoxyaniline.- Dielectric constant of 3-propyl-4-ethylsydnone.- Dielectric constant of butyl acrylate.- Dielectric constant of cycloheptanol.- Dielectric constant of 3-methylbutyl acetate.- Dielectric constant of 1-iodoheptane.- Dielectric constant of heptane.- Dielectric constant of heptan-1-ol.- Dielectric constant of 2-methylhexan-1-ol.- Dielectric constant of heptane-1,7-diol.- Dielectric constant of propylene glycol monobutyl ether.- Dielectric constant of dipropylene glycol monomethyl ether.- Dielectric constant of perfluoro-1,3-dimethylcyclohexane.- Dielectric constant of perfluorooctane.- Dielectric constant of 4-fluorophenylacetonitrile.- Dielectric constant of 4-chloroacetophenone.- Dielectric constant of 2-nitroacetophenone.- Dielectric constant of acetophenone.- Dielectric constant of 2'-hydroxyacetophenone.- Dielectric constant of methyl benzoate.- Dielectric constant of ethyl nicotinate.- Dielectric constant of 1,2-dimethylbenzene.- Dielectric constant of 1,3-dimethylbenzene.- Dielectric constant of 1,4-dimethylbenzene.- Dielectric constant of ethylbenzene.- Dielectric constant of 4-ethylphenol.- Dielectric constant of 1,2-dimethoxybenzene.- Dielectric constant of 1,3-dimethoxybenzene.- Dielectric constant of N-ethylaniline.- Dielectric constant of 2-ethylaniline.- Dielectric constant of butyl methacrylate.- Dielectric constant of isobutyl methacrylate.- Dielectric constant of octanenitrile.- Dielectric constant of octanoic acid.- Dielectric constant of octane.- Dielectric constant of 2,2,4-trimethylpentane.- Dielectric constant of 1-butoxybutane.- Dielectric constant of 2-ethylhexan-1-ol.- Dielectric constant of 2-methylheptan-1-ol.- Dielectric constant of 6-methylheptan-2-ol.- Dielectric constant of 4-methylheptan-3-ol.- Dielectric constant of octan-1-ol.- Dielectric constant of octan-2-ol.- Dielectric constant of 2-(2-butoxyethoxy)ethanol.- Dielectric constant of 1,2-bis-(2-methoxyethoxy)ethane.- Dielectric constant of perfluoro-2-methyl-3-isopropylpentane.- Dielectric constant of isoquinoline.- Dielectric constant of quinoline.- Dielectric constant of ethyl benzoate.- Dielectric constant of isopropylbenzene.- Dielectric constant of 1,3,5-trimethylbenzene.- Dielectric constant of 1-chlorononane.- Dielectric constant of nonane.- Dielectric constant of perfluorodecaline.- Dielectric constant of cis-perfluorodecaline.- Dielectric constant of trans-perfluorodecaline.- Dielectric constant of naphthalene.- Dielectric constant of 1,2,3,4-tetrahydronaphthalene.- Dielectric constant of cis-decahydronaphthalene.- Dielectric constant of trans-decahydronaphthalene.- Dielectric constant of diethyl adipate.- Dielectric constant of decanenitrile.- Dielectric constant of decane.- Dielectric constant of decan-1-ol.- Dielectric constant of dipropylene glycol monobutyl ether.- Dielectric constant of 2-(2-hexyloxyethoxy)ethanol.- Dielectric constant of tri(ethylene glycol) monobutyl ather.- Dielectric constant of tetra(ethylene glycol) dimethyl ether.- Dielectric constant of isobutyl salicylate.- Dielectric constant of undecanenitrile.- Dielectric constant of diethyl phthalate.- Dielectric constant of dodecanoic acid.- Dielectric constant of dodecane.- Dielectric constant of dodecan-1-ol.- Dielectric constant of tributylamine.- Dielectric constant of benzyl nicotinate.- Dielectric constant of benzyl benzoate.- Dielectric constant of tetradecane.- Dielectric constant of hexadecane.- Dielectric constant of docosanoic acid.- Dielectric constant of deca(ethylene glycol) p-isononylphenyl ether.- Dielectric constant of the mixture (1) water; (2) dideuterium oxide.- Dielectric constant of the mixture (1) carbon dioxide; (2) methanol.- Dielectric constant of the mixture (1) carbon dioxide; (2) ethanol.- Dielectric constant of the mixture (1) carbon dioxide; (2) toluene.- Dielectric constant of the mixture (1) carbon disulfide; (2) phosphoric acid tributyl ester.- Dielectric constant of the mixture (1) water; (2) formic acid.- Dielectric constant of the mixture (1) water; (2) formamide.- Dielectric constant of the mixture (1) water; (2) urea.- Dielectric constant of the mixture (1) water; (2) methanol.- Dielectric constant of the mixture (1) water; (2) 1-methylhydrazine.- Dielectric constant of the mixture (1) water; (2) 2,2,2-trifluoroethanol.- Dielectric constant of the mixture (1) water; (2) acetonitrile.- Dielectric constant of the mixture (1) water; (2) acetic acid.- Dielectric constant of the mixture (1) water; (2) N-methylformamide.- Dielectric constant of the mixture (1) water; (2) aminoacetic acid.- Dielectric constant of the mixture (1) water; (2) ethanol.- Dielectric constant of the mixture (1) water; (2) dimethylsulfoxide.- Dielectric constant of the mixture (1) water; (2) ethane-1,2-diol.- Dielectric constant of the mixture (1) water; (2) 2-aminoethanol.- Dielectric constant of the mixture (1) water; (2) 1,1-dimethylhydrazine.- Dielectric constant of the mixture (1) water; (2) ethylene carbonate.- Dielectric constant of the mixture (1) water; (2) propan-2-one.- Dielectric constant of the mixture (1) water; (2) propanoic acid.- Dielectric constant of the mixture (1) water; (2) N,N-dimethylformamide.- Dielectric constant of the mixture (1) water; (2) propan-1-ol.- Dielectric constant of the mixture (1) water; (2) 2-methoxyethanol.- Dielectric constant of the mixture (1) water; (2) propane-1,2-diol.- Dielectric constant of the mixture (1) water; (2) propane-1,3-diol.- Dielectric constant of the mixture (1) water; (2) propane-1,2,3-triol.- Dielectric constant of the mixture (1) water; (2) pyrrolidine-2-one.- Dielectric constant of the mixture (1) water; (2) tetrahydrofuran.- Dielectric constant of the mixture (1) water; (2) butanoic acid.- Dielectric constant of the mixture (1) water; (2) 1,4-dioxane.- Dielectric constant of the mixture (1) water; (2) tetrahydrothiophene-1,1-dioxide.- Dielectric constant of the mixture (1) water; (2) N,N-dimethylacetamide.- Dielectric constant of the mixture (1) water; (2) N-methylpropionamide.- Dielectric constant of the mixture (1) water; (2) butan-1-ol.- Dielectric constant of the mixture (1) water; (2) butan-2-ol.- Dielectric constant of the mixture (1) water; (2) 2-methylpropan-2-ol.- Dielectric constant of the mixture (1) water; (2) butane-1,2-diol.- Dielectric constant of the mixture (1) water; (2) butane-1,3-diol.- Dielectric constant of the mixture (1) water; (2) butane-1,4-diol.- Dielectric constant of the mixture (1) water; (2) butane-2,3-diol.- Dielectric constant of the mixture (1) water; (2) 1,2-dimethoxyethane.- Dielectric constant of the mixture (1) water; (2) 2-ethoxyethanol.- Dielectric constant of the mixture (1) water; (2) 2-(2-hydroxyethoxy)-ethanol.- Dielectric constant of the mixture (1) water; (2) pyridine.- Dielectric constant of the mixture (1) water; (2) N-methylpyrrolidine-2-one.- Dielectric constant of the mixture (1) water; (2) 1,3-dimethyl-2-imidazolidinone.- Dielectric constant of the mixture (1) water; (2) butylurea.- Dielectric constant of the mixture (1) water; (2) 1,1,3,3-tetramethylurea.- Dielectric constant of the mixture (1) water; (2) 2-isopropoxyethanol.- Dielectric constant of the mixture (1) water; (2) pentane-1,5-diol.- Dielectric constant of the mixture (1) water; (2) N-vinylpyrrolidin-2-one.- Dielectric constant of the mixture (1) water; (2) 2-butoxyethanol.- Dielectric constant of the mixture (1) water; (2) 2-isobutoxyethanol.- Dielectric constant of the mixture (1) water; (2) 2-(2-ethoxyethoxy)ethanol.- Dielectric constant of the mixture (1) water; (2) triethylene glycol.- Dielectric constant of the mixture (1) water; (2) hexamethylphosphortriamide.- Dielectric constant of the mixture (1) water; (2) heptane-1,7-diol.- Dielectric constant of the mixture (1) water; (2) dipropylene glycol monomethyl ether.- Dielectric constant of the mixture (1) water; (2) 2-(2-butoxyethoxy)ethanol.- Dielectric constant of the mixture (1) water; (2) 2-(2-hexyloxyethoxy)ethanol.- Dielectric constant of the mixture (1) water; (2) tri(ethylene glycol) monobutyl ather.- Dielectric constant of the mixture (1) water; (2) deca(ethylene glycol) p-isononylphenyl ether.- Dielectric constant of the mixture (1) tetrachloromethane; (2) methanol.- Dielectric constant of the mixture (1) tetrachloromethane; (2) ethanol.- Dielectric constant of the mixture (1) tetrachloromethane; (2) butan-1-ol.- Dielectric constant of the mixture (1) tetrachloromethane; (2) 2-methylpropan-2-ol.- Dielectric constant of the mixture (1) tetrachloromethane; (2) pyridine.- Dielectric constant of the mixture (1) tetrachloromethane; (2) methyl methacrylate.- Dielectric constant of the mixture (1) tetrachloromethane; (2) pentan-1-ol.- Dielectric constant of the mixture (1) tetrachloromethane; (2) aniline.- Dielectric constant of the mixture (1) tetrachloromethane; (2) 2-hexenal.- Dielectric constant of the mixture (1) tetrachloromethane; (2) ethyl methacrylate.- Dielectric constant of the mixture (1) tetrachloromethane; (2) 3-hexene-1-ol.- Dielectric constant of the mixture (1) tetrachloromethane; (2) 4-methylpentan-2-one.- Dielectric constant of the mixture (1) tetrachloromethane; (2) hexan-1-ol.- Dielectric constant of the mixture (1) tetrachloromethane; (2) 1-bromo-2-methoxybenzene.- Dielectric constant of the mixture (1) tetrachloromethane; (2) ethyl 2-methylbutanoate.- Dielectric constant of the mixture (1) tetrachloromethane; (2) heptan-1-ol.- Dielectric constant of the mixture (1) tetrachloromethane; (2) methyl anthranilate.- Dielectric constant of the mixture (1) tetrachloromethane; (2) 1,4-dimethylbenzene.- Dielectric constant of the mixture (1) tetrachloromethane; (2) N,N-dimethylaniline.- Dielectric constant of the mixture (1) tetrachloromethane; (2) butyl methacrylate.- Dielectric constant of the mixture (1) tetrachloromethane; (2) 3-methylbutyl propanoate.- Dielectric constant of the mixture (1) tetrachloromethane; (2) octan-1-ol.- Dielectric constant of the mixture (1) tetrachloromethane; (2) 2,6-dimethylheptan-4-one.- Dielectric constant of the mixture (1) tetrachloromethane; (2) anethole.- Dielectric constant of the mixture (1) tetrachloromethane; (2) ethyl decanoate.- Dielectric constant of the mixture (1) tetrachloromethane; (2) phosphoric acid tributyl ester.- Dielectric constant of the mixture (1) tetrachloromethane; (2) damascenone.- Dielectric constant of the mixture (1) tribromomethane; (2) trichloromethane.- Dielectric constant of the mixture (1) tribromomethane; (2) hexane.- Dielectric constant of the mixture (1) tribromomethane; (2) heptane.- Dielectric constant of the mixture (1) tribromomethane; (2) octane.- Dielectric constant of the mixture (1) tribromomethane; (2) 2,2,4-trimethylpentane.- Dielectric constant of the mixture (1) tribromomethane; (2) nonane.- Dielectric constant of the mixture (1) tribromomethane; (2) 1,2,3,4-tetrahydronaphthalene.- Dielectric constant of the mixture (1) tribromomethane; (2) decane.- Dielectric constant of the mixture (1) tribromomethane; (2) dodecane.- Dielectric constant of the mixture (1) tribromomethane; (2) tetradecane.- Dielectric constant of the mixture (1) tribromomethane; (2) hexadecane.- Dielectric constant of the mixture (1) chlorodifluoromethane; (2) trifluoromethane.- Dielectric constant of the mixture (1) trichloromethane; (2) cyclohexanone.- Dielectric constant of the mixture (1) dichloromethane; (2) methanol.- Dielectric constant of the mixture (1) dichloromethane; (2) ethanol.- Dielectric constant of the mixture (1) dichloromethane; (2) propan-1-ol.- Dielectric constant of the mixture (1) dichloromethane; (2) cyclohexanone.- Dielectric constant of the mixture (1) dichloromethane; (2) methoxybenzene.- Dielectric constant of the mixture (1) difluoromethane; (2) 1,1,1,2,2-pentafluoroethane.- Dielectric constant of the mixture (1) formamide; (2) N,N-dimethylformamide.- Dielectric constant of the mixture (1) formamide; (2) propan-1-ol.- Dielectric constant of the mixture (1) formamide; (2) propane-1,2-diol.- Dielectric constant of the mixture (1) formamide; (2) propane-1,2,3-triol.- Dielectric constant of the mixture (1) formamide; (2) 1,4-dioxane.- Dielectric constant of the mixture (1) formamide; (2) butan-1-ol.- Dielectric constant of the mixture (1) formamide; (2) pyridine.- Dielectric constant of the mixture (1) formamide; (2) chlorobenzene.- Dielectric constant of the mixture (1) nitromethane; (2) acetonitrile.- Dielectric constant of the mixture (1) methanol; (2) oxalic acid.- Dielectric constant of the mixture (1) methanol; (2) acetonitrile.- Dielectric constant of the mixture (1) methanol; (2) 1,2-dichloroethane.- Dielectric constant of the mixture (1) methanol; (2) ethane.- Dielectric constant of the mixture (1) methanol; (2) dimethylsulfoxide.- Dielectric constant of the mixture (1) methanol; (2) methyl acetate.- Dielectric constant of the mixture (1) methanol; (2) N,N-dimethylformamide.- Dielectric constant of the mixture (1) methanol; (2) ?-butyrolactone.- Dielectric constant of the mixture (1) methanol; (2) methyl acrylate.- Dielectric constant of the mixture (1) methanol; (2) butanenitrile.- Dielectric constant of the mixture (1) methanol; (2) tetrahydrofuran.- Dielectric constant of the mixture (1) methanol; (2) 1,4-dioxane.- Dielectric constant of the mixture (1) methanol; (2) ethyl acetate.- Dielectric constant of the mixture (1) methanol; (2) N,N-dimethylacetamide.- Dielectric constant of the mixture (1) methanol; (2) 2-methylpropan-2-ol.- Dielectric constant of the mixture (1) methanol; (2) pyridine.- Dielectric constant of the mixture (1) methanol; (2) pentanenitrile.- Dielectric constant of the mixture (1) methanol; (2) N-methylpyrrolidine-2-one.- Dielectric constant of the mixture (1) methanol; (2) pentane.- Dielectric constant of the mixture (1) methanol; (2) chlorobenzene.- Dielectric constant of the mixture (1) methanol; (2) aniline.- Dielectric constant of the mixture (1) methanol; (2) hexanenitrile.- Dielectric constant of the mixture (1) methanol; (2) cyclohexane.- Dielectric constant of the mixture (1) methanol; (2) butyl acetate.- Dielectric constant of the mixture (1) methanol; (2) benzaldehyde.- Dielectric constant of the mixture (1) methanol; (2) benzoic acid.- Dielectric constant of the mixture (1) methanol; (2) toluene.- Dielectric constant of the mixture (1) methanol; (2) heptane.- Dielectric constant of the mixture (1) methanol; (2) 4-fluorophenylacetonitrile.- Dielectric constant of the mixture (1) methanol; (2) 4-ethylphenol.- Dielectric constant of the mixture (1) methanol; (2) octanenitrile.- Dielectric constant of the mixture (1) methanol; (2) 2-ethylhexan-1-ol.- Dielectric constant of the mixture (1) methanol; (2) decanenitrile.- Dielectric constant of the mixture (1) methanol; (2) tetra(ethylene glycol) dimethyl ether.- Dielectric constant of the mixture (1) methanol; (2) undecanenitrile.- Dielectric constant of the mixture (1) methanol; (2) dodecane.- Dielectric constant of the mixture (1) tetrachloroethene; (2) methoxybenzene.- Dielectric constant of the mixture (1) 1,1,2-trichloroethene; (2) pyridine.- Dielectric constant of the mixture (1) 1,1,2-trichloroethene; (2) cyclohexanone.- Dielectric constant of the mixture (1) 1,1,2-trichloroethene; (2) methoxybenzene.- Dielectric constant of the mixture (1) 1,1,2-trichloroethene; (2) quinoline.- Dielectric constant of the mixture (1) 1,1,1,2,2-pentafluoroethane; (2) 1,1,1-trifluoroethane.- Dielectric constant of the mixture (1) 1,1,2,2-tetrachloroethane; (2) propan-2-one.- Dielectric constant of the mixture (1) 1,1,2,2-tetrachloroethane; (2) butan-2-one.- Dielectric constant of the mixture (1) 1,1,2,2-tetrachloroethane; (2) 1,4-dioxane.- Dielectric constant of the mixture (1) 1,1,2,2-tetrachloroethane; (2) methyl propanoate.- Dielectric constant of the mixture (1) 1,1,2,2-tetrachloroethane; (2) pyridine.- Dielectric constant of the mixture (1) 1,1,2,2-tetrachloroethane; (2) ethyl propanoate.- Dielectric constant of the mixture (1) 1,1,2,2-tetrachloroethane; (2) ethyl butanoate.- Dielectric constant of the mixture (1) 1,1,2,2-tetrachloroethane; (2) toluene.- Dielectric constant of the mixture (1) 1,1,2,2-tetrachloroethane; (2) methoxybenzene.- Dielectric constant of the mixture (1) oxalic acid; (2) ethanol.- Dielectric constant of the mixture (1) oxalic acid; (2) propan-1-ol.- Dielectric constant of the mixture (1) oxalic acid; (2) propan-2-ol.- Dielectric constant of the mixture (1) oxalic acid; (2) toluene.- Dielectric constant of the mixture (1) acetonitrile; (2) ethanol.- Dielectric constant of the mixture (1) acetonitrile; (2) dimethylsulfoxide.- Dielectric constant of the mixture (1) acetonitrile; (2) propan-1-ol.- Dielectric constant of the mixture (1) acetonitrile; (2) propan-2-ol.- Dielectric constant of the mixture (1) acetonitrile; (2) 2-methoxyethanol.- Dielectric constant of the mixture (1) acetonitrile; (2) propylene carbonate.- Dielectric constant of the mixture (1) acetonitrile; (2) N,N-dimethylacetamide.- Dielectric constant of the mixture (1) acetonitrile; (2) butan-1-ol.- Dielectric constant of the mixture (1) acetonitrile; (2) butan-2-ol.- Dielectric constant of the mixture (1) acetonitrile; (2) 2-methylpropan-1-ol.- Dielectric constant of the mixture (1) acetonitrile; (2) 2-methylpropan-2-ol.- Dielectric constant of the mixture (1) acetonitrile; (2) chlorobenzene.- Dielectric constant of the mixture (1) acetonitrile; (2) nitrobenzene.- Dielectric constant of the mixture (1) acetonitrile; (2) benzene.- Dielectric constant of the mixture (1) acetonitrile; (2) 3-methylpyridine.- Dielectric constant of the mixture (1) acetonitrile; (2) 4-methylpyridine.- Dielectric constant of the mixture (1) acetonitrile; (2) toluene.- Dielectric constant of the mixture (1) acetonitrile; (2) 2,6-dimethylpyridine.- Dielectric constant of the mixture (1) acetonitrile; (2) isoquinoline.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) 2-chloroethanol.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) ethanol.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) N,N-dimethylformamide.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) propan-1-ol.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) 2-methoxyethanol.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) 1,2-dimethoxyethane.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) cyclohexanone.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) methoxybenzene.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) heptane.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) 2,2,4-trimethylpentane.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) decane.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) dodecane.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) tetradecane.- Dielectric constant of the mixture (1) 1,2-dichloroethane; (2) hexadecane.- Dielectric constant of the mixture (1) acetaldehyde; (2) benzene.- Dielectric constant of the mixture (1) acetaldehyde; (2) cyclohexane.- Dielectric constant of the mixture (1) acetaldehyde; (2) 1,4-dimethylbenzene.- Dielectric constant of the mixture (1) acetaldehyde; (2) 1,3,5-trimethylbenzene.- Dielectric constant of the mixture (1) acetic acid; (2) pentane-2,4-dione.- Dielectric constant of the mixture (1) acetic acid; (2) 4-methylpentan-2-one.- Dielectric constant of the mixture (1) acetic acid; (2) 2,6-dimethylheptan-4-one.- Dielectric constant of the mixture (1) chloroethane; (2) butanenitrile.- Dielectric constant of the mixture (1) N-methylformamide; (2) ethane-1,2-diol.- Dielectric constant of the mixture (1) N-methylformamide; (2) N,N-dimethylformamide.- Dielectric constant of the mixture (1) N-methylformamide; (2) 1,4-dioxane.- Dielectric constant of the mixture (1) N-methylformamide; (2) pyridine.- Dielectric constant of the mixture (1) N-methylformamide; (2) chlorobenzene.- Dielectric constant of the mixture (1) ethanol; (2) dimethylsulfoxide.- Dielectric constant of the mixture (1) ethanol; (2) ethane-1,2-diol.- Dielectric constant of the mixture (1) ethanol; (2) methyl acetate.- Dielectric constant of the mixture (1) ethanol; (2) N,N-dimethylformamide.- Dielectric constant of the mixture (1) ethanol; (2) 2-methoxyethanol.- Dielectric constant of the mixture (1) ethanol; (2) ?-butyrolactone.- Dielectric constant of the mixture (1) ethanol; (2) tetrahydrofuran.- Dielectric constant of the mixture (1) ethanol; (2) ethyl acetate.- Dielectric constant of the mixture (1) ethanol; (2) N,N-dimethylacetamide.- Dielectric constant of the mixture (1) ethanol; (2) butan-1-ol.- Dielectric constant of the mixture (1) ethanol; (2) 2-methylpropan-2-ol.- Dielectric constant of the mixture (1) ethanol; (2) 2-ethoxyethanol.- Dielectric constant of the mixture (1) ethanol; (2) pyridine.- Dielectric constant of the mixture (1) ethanol; (2) chlorobenzene.- Dielectric constant of the mixture (1) ethanol; (2) nitrobenzene.- Dielectric constant of the mixture (1) ethanol; (2) benzene.- Dielectric constant of the mixture (1) ethanol; (2) aniline.

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Book SynopsisThis book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level understanding of physical and chemical processes at surfaces, with particular emphasis on dynamical aspects. This book is a reference in the field.Trade ReviewFrom the book reviews:“The volume collects the work carried out by many among the best groups and authors in the field, including the excellent contributions from the editors’ home-institutions, the CONICET-UNR at Rosario, Argentina and, last but not least, the Centro de Física de Materiales of CSIC, and the Donostia International Physics Center (DIPC) of the Basque Country University at San Sebastian. This important book is a must for all surface science laboratories.” (G. Benedek, Il Nuovo Saggiatore, en.sif.it, Vol. 31 (1-2), 2015)Table of ContentsSupersonic molecular beams studies of surfaces.- Potential energy surfaces for the dynamics of elementary gas-surface processes.- Thermal energy atomic and molecular beam diffraction from solid surfaces.- Using molecular reflectivity to explore reaction dynamics at metal surfaces.- Hydrogen dissociation on stepped metal surfaces.- Dynamics of the H2 interaction with bimetallic surface alloys from first principles..- Hydrogen recombination on graphitic surfaces.- State-selective reactivity of molecules at surfaces.- The effects of lattice motion on gas-surface reactions.- Reaction dynamics of molecular hydrogen on silicon surfaces --importance of lattice degrees of freedom.- Electronically nonadiabatic molecule surface interactions..- Non-adiabatic effects at surfaces simulated with TDDFT molecular dynamics.- Theory of non-adiabatic molecular dynamics at surfaces.- Scattering of hyperthermal effusive atomic and molecular beams at metal surfaces.- Energy dissipation channels in reactive and non-reactive scattering at surfaces.- O2 adsorption dynamics at metal surfaces: non-adiabatic effects, dissociation, and dissipation.

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Book SynopsisDas Werk gibt eine in sich geschlossene einführende Darstellung der Grundlagen und Methoden zur theoretischen Beschreibung molekularer Strukturen und Prozesse sowie ihrer Anwendung auf Probleme der Chemie. Neben den traditionellen Kerngebieten Quantenchemie und Reaktionsdynamik werden Verfahren zur Modellbildung, praktischen Berechnung bzw. Computersimulation komplexer molekularer Systeme behandelt. Der Umfang ist so gefasst, dass damit der Stoff nicht nur für einen Basiskurs Theoretische Chemie im Rahmen der Chemieausbildung, sondern auch für anschließende vertiefende Studien zur Verfügung steht. Anschlussstellen für den Einstieg in die aktuelle Forschung und für den Einsatz theoretisch-chemischer Methoden in Nachbargebieten (Molekülspektroskopie, Biochemie u. a.) werden aufgezeigt.Table of ContentsGrundbegriffe der Quantenmechanik.- Elektronenhüllen der Atome.- Chemische Bindungen in einfachsten Systemen.- Hückelsches MO-Modell.- Vielfalt der Bindungstypen.- Molekülrealität.- Symmetrie molekularer Systeme.- Phänomenologie und Grundbegriffe der theoretischen Beschreibung reaktionskinetischer Elementarprozesse.- Molekulare Wechselwirkungspotentiale.- Theorie atomar-molekularer Stoßprozesse.- Mikroskopische Dynamik und makroskopische Kinetik: Statistische Modelle.- Grundfunktionen des Computereinsatzes in der Chemie.- Molekulare Modellierung.- Quantenchemische Berechnungen.- Computergestützte Syntheseplanung.

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Book SynopsisHermann Sicius bringt dem Leser in knapper Form alle wichtigen Informationen rund um eine wichtige Klasse metallischer Rohstoffe nahe. Von den achtzehn Metallen der Actinoide und der dritten Nebengruppe sind bis auf Thorium, Uran und vielleicht Plutonium alle weitgehend unbekannt, aber trotz ihrer teils extrem aufwendigen Herstellung gibt es hochinteressante Einsatzgebiete dieser oft stark radioaktiven Elemente, und dies auch in nicht-militärischen, d.h. friedlichen Anwendungen. Wussten Sie schon vom Einsatz Americiums in Radionuklidbatterien? Dem Beschuss von Atomen des Einsteiniums mit kleineren Atomkernen zur Erzeugung von Elementen noch höherer Ordnungszahl? Nein? Dann lassen Sie sich die faszinierende Welt dieser schweren Atomkerne vorstellen! Keine Angst vor Radioaktivität! Der Autor beschreibt die gegenwärtige Lage und gibt einen Ausblick in die Zukunft.Table of ContentsEinleitung.- Actinoide und Metalle der dritten Nebengruppe Geschichte und Vorkommen.- Aufarbeitung, Trennung und Herstellung.- Actinoide und Metalle der dritten Nebengruppe physikalische und chemische Eigenschaften, Analytik.- Einzelne Metalle der dritten Nebengruppe Scandium, Yttrium, Lanthan, Actinium) sowie der Gruppe der Actinoide (Thorium bis Lawrencium).

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Book SynopsisDie Autoren geben als aktiv Beteiligte erstmalig aus ihrem persönlichen Erleben einen Einblick auf die ersten zwei Jahrzehnte der Synergetik-Geschichte. Hermann Haken führt in die Begrifflichkeit der Synergetik ein und verdeutlicht die Schwierigkeiten, eine neues Denken in der Wissenschaft zu etablieren. Peter Plath geht exemplarisch auf die Vorgeschichte der Synergetik ein und zeigt an einem Fallbeispiel aus der Chemie, wie die Idee der Synergetik zum Leitmotiv einer Forschungsgruppe wurde. Werner Ebeling und Yuri Romanovsky beschreiben die intensive Kooperation der Wissenschaftler aus Ost und West bei der Herausbildung neuer Ideen zur Synergetik. Table of ContentsTeil I: Entwicklungslinien der Synergetik.- Teil II: Zurückliegende Entwicklungen: Makroskopische Musterbildung in der Chemie noch vor der Synergetik.- Teil III: Entwicklung der Synergetik und Theorie der Selbstorganisation in Osteuropa und der DDR 1971–1990.- Teil IV: Konferenzen, Tagungen und Seminare zur Synergetik und Theorie der Selbstorganisation in Osteuropa und in der DDR.- Teil V: Entstehung der Chemischen Synergetik in Bremen – ein Fallbeispiel.- Teil VI: Winterseminare auf dem Zeinisjoch – Diskussionen zur Synergetik.- Über die Autoren.

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Book SynopsisKünstliche Organe sind Membranmodule, welche in einem extrakorporalen Kreislauf Blutinhaltsstoffe austauschen bzw. entfernen. Dabei kommen die klassischen Prinzipien der Crossflow- und der Gegenstromverfahren zur Anwendung. Manfred Raff zeigt, wie für die Auslegung derartiger Membranverfahren aus Modellen am differentiellen Membranelement funktionale Zusammenhänge von Zielgrößen und geometrischen, stofflichen und Betriebsparametern für das gesamte Modul abgeleitet werden. Die Ergebnisgleichungen können auch für technische Anwendungen eingesetzt werden. Der Autor:Manfred Raff hat sich in seinem Berufsleben mit dem wissenschaftlichen Schwerpunkt Membrantechnologie beschäftigt. Er war zunächst in der Industrie in der Forschung, Entwicklung und Produktion von Membranen und Modulen tätig. Später hat er als Hochschullehrer an der Hochschule Furtwangen Verfahrenstechnik gelehrt und Membranthemen, wie Messung der Porengrößenverteilung in Membranen, Untersuchung des Stofftransports in der künstlichen Leber, Simulation des Stofftransports bei der Highflux-Dialyse, erforscht. Nach der Pensionierung arbeitet er weiterhin als Lehrbeauftragter an der HFU, Campus Schwenningen.Table of ContentsMembranen und Module.- Stofftransport-Modelle über Membranen.- Membran-Prozesse bei künstlichen Organen.

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