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| Preface and Acknowledgments | |
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| Structure in Solids | |
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| Limits on Homogeneity | |
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| States of Matter | |
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| Diffraction | |
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| Producing Short Wavelength Radiation | |
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| The Action of Crystals on the Radiation | |
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| Bragg Reflection | |
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| Standard Crystal Lattices | |
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| Miller Indices | |
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| Cubic Point Lattices | |
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| Some Simple Crystal Types | |
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| Stability Conditions | |
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| Avogadro's Number | |
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| Surface Structure | |
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| The Quasicrystalline State | |
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| Questions | |
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| Problems | |
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| References | |
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| Structure in Molecules and Atoms | |
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| Introduction | |
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| Symmetric Coordination Structures | |
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| Momentum and Energy Relationships | |
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| Diffraction by Randomly Oriented Molecules | |
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| Electron Diffraction Molecular Parameters | |
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| Intensity in a Beam | |
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| The Cross Section Concept | |
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| The Nuclear Atom | |
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| Composition of Atoms and Nuclei | |
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| Questions | |
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| Problems | |
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| References | |
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| Gases and Collective Properties | |
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| Macroscopic Properties | |
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| Elements of Ideal-Gas Theory | |
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| Temperature | |
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| Constants R and T[subscript 0] | |
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| Gaseous Solutions | |
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| Translational, Rotational, Vibrational Energies | |
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| Quantum Restrictions | |
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| Allowing for Molecular Interactions | |
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| Gas-Liquid Isotherms | |
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| Corresponding States | |
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| Compressibility Factor for a Gas | |
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| Virial Equation of State | |
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| Distribution of Equivalent Particles in a Potential Field | |
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| The Maxwell Distribution Law | |
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| The Collision Rate Density | |
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| Questions | |
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| Problems | |
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| References | |
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| The First Law for Energy | |
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| Independent Thermodynamic Variables | |
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| Work | |
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| Heat | |
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| The First Law | |
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| Compression (P-V) Work | |
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| Isochoric and Isobaric Heats | |
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| Energy Capacities | |
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| Reversible Adiabatic Change in an Ideal Gas | |
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| Conditions in a Planar Pressure Pulse | |
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| Contributions to Energy Capacity C[subscript v] | |
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| Relating Differentials and Partial Derivatives | |
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| The Difference C[subscript p]-C[subscript v] | |
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| Coefficients of Thermal Expansion and Isothermal Compressibility | |
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| Exact Differentials | |
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| Partial Molar Properties | |
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| Questions | |
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| Problems | |
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| References | |
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| Entropy and the Second Law | |
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| Accessibility of States | |
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| Integrability of the Reversible Heat | |
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| Form for the Integrating Factor | |
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| Entropy Changes of Systems | |
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| The Second Law | |
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| Entropy of Mixing | |
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| Probability Change on Mixing | |
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| Effectively Contributing Microstates | |
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| Helmholtz Free Energy | |
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| Gibbs Free Energy | |
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| Key Thermodynamic Relations | |
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| The Chemical Potential | |
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| Concentration Gradients | |
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| General Direction for a Process | |
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| A Fourth Law | |
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| Questions | |
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| Problems | |
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| References | |
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| Relationships between Phases | |
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| Intensive Variables | |
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| The Gibbs Phase Rule | |
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| Equilibrium States for Water | |
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| Solutions | |
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| Aspects of Multicomponent Phase Diagrams | |
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| Singularities Separating Phases | |
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| The Clapeyron and Ehrenfest Equations | |
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| Variation of Vapor Pressure with Temperature | |
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| Variation of Vapor Pressure with Total Pressure | |
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| Variation of Vapor Pressure with Concentration | |
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| The Mole-Fraction Activity | |
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| Concentration Units | |
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| Elevation of the Boiling Point | |
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| Depression of the Freezing Point | |
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| Permeability of Membranes | |
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| Osmotic Pressure | |
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| Equilibria among Phases | |
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| Questions | |
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| Problems | |
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| References | |
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| Relationships among Reactants | |
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| Introduction | |
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| Conventions | |
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| Measuring Reaction Heats | |
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| Relating the Isobaric and Isochoric Reaction Heats | |
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| Variation in Heat of Reaction with Temperature | |
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| Calorimetric Entropy | |
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| Correcting the Calorimetric Entropy to the Ideal Gas State | |
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| Correcting the Calorimetric Entropy for Frozen-in Disorder | |
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| Key Thermodynamic Properties | |
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| Partial Molar Gibbs Energy | |
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| Gibbs Energy of Reaction | |
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| Energetic Conditions on Equilibria | |
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| Equilibria in Ideal Gaseous Phases | |
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| Heterogeneous Gas Equilibria | |
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| Variation of Equilibrium Constants with Temperature | |
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| Variation of Equilibrium Constants with Pressure | |
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| The Activity Coefficient Concept | |
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| Helmholtz Energy of Reaction | |
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| Questions | |
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| Problems | |
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| References | |
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| Equilibria in Condensed Phases | |
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| The Chemical Potential Revisited | |
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| Useful Equilibrium Expressions | |
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| Conditions Determining Equilibria | |
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| Key Thermodynamic Considerations | |
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| Average Electric Atmosphere about an Ion | |
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| An Integral Form of Coulomb's Law | |
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| Application of Gauss's Theorem to the Ionic Atmosphere | |
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| Variation of Electric Potential in an Ionic Atmosphere | |
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| Free Energy of the Ionic Atmosphere | |
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| Debye-Huckel Equations | |
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| Equilibria among Phases Revisited | |
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| Determining Ionic Activities | |
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| Limitations of the Debye-Huckel Treatment | |
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| Questions | |
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| Problems | |
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| References | |
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| Electrochemistry | |
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| Definitions and Units | |
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| Electrode Reactions | |
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| Electrolyte Transference | |
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| Moving Ion Clouds and Boundaries | |
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| Ohm's Law | |
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| Equivalent Conductance | |
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| Determining Solubilities and Degrees of Ionization | |
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| Variation of Ion Conductance with Viscosity | |
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| Cell Conventions | |
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| Measuring and Allocating Voltages | |
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| Cell Energetics | |
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| Cell with Transference | |
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| Reference Cells and Electrodes | |
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| Measuring the pH of Solutions | |
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| Overpotential | |
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| Electrode Potentials for Other Solvents | |
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| Further Cell Thermodynamics | |
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| Questions | |
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| Problems | |
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| References | |
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| Basic Quantum Mechanics | |
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| The Statistical Nature of the Path of a Mass Element or Particle | |
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| Representing a Constituent State | |
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| Introducing the Translational Symmetries | |
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| Translational Motion in a General Direction | |
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| Diffraction Experiments Revisited | |
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| Rectangularly Symmetric Free Motion | |
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| Translational Energy of the Molecules in an Ideal Gas | |
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| Enumerating and Filling Translational States | |
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| Normalization and Orthogonality Conditions | |
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| Standing-Wave Translational Functions | |
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| Confined Rectangularly Symmetric Motion | |
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| Attenuated Motion | |
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| Joining Different Constant-Potential Regions | |
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| A Differential Equation for Multidirectional Propagation | |
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| The Schrodinger Equations | |
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| Suitable Solutions | |
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| Expressing [down triangle, open superscript 2] in Orthogonal Generalized Coordinates | |
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| Questions | |
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| Problems | |
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| References | |
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| Free Rotational and Angular Motion | |
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| Introduction | |
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| Classical Rotational Kinetic Energy | |
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| Quantized Angular Momentum States of a Linear Rotator | |
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| Energy Levels for the Linear Rotator | |
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| Rotational Spectrum of a Linear Molecule | |
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| Broadening of Spectral Lines | |
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| Quantization of Cylindrically Symmetric Rotators | |
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| The Asymmetric Rotator | |
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| Rotational Partition Functions and the Resulting Energies | |
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| Independence of the Angular Factor Y([theta], [phi]) | |
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| A Multiaxial Formula for Y([theta], [phi]) | |
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| Directional Behavior of the Standard Rotational State Functions | |
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| Normalization and Orthogonality Conditions Revisited | |
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| Magnetic Energy Associated with Angular Momentum | |
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| Observing Spatial Quantization in a Beam | |
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| Spin States | |
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| Questions | |
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| Problems | |
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| References | |
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| Vibrational and Radial Motion | |
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| Pertinent Potentials | |
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| Schrodinger Equation for the Harmonic Oscillator | |
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| Quantization of the Harmonic Oscillator | |
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| Nodeless Solutions | |
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| Acceptable Wavy Solutions | |
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| Partition Function for a Vibrational Mode | |
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| Selection Rules | |
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| Vibration-Rotation Spectra | |
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| Raman Spectra | |
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| Bond Anharmonicity and its Effect | |
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| Asymptotic Solutions for the Central Field | |
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| Radial State Functions for a Hydrogenlike Atom | |
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| Electronic Spectrum of a Hydrogenlike Atom | |
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| Multiparticle Systems | |
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| Multielectron Uninuclear Structures | |
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| Combining Angular Momenta | |
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| Questions | |
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| Problems | |
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| References | |
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| Analyzing Organized Structures | |
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| The General Behavior of Bases | |
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| Representing Nondistortive Operations | |
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| Symmetry Operations | |
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| Pertinent Permutation Matrices | |
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| Other Transformation Matrices | |
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| Classifying Operations | |
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| Character Vectors | |
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| Symmetry Species | |
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| Selection Rules | |
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| The Orthogonality Condition | |
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| Generating Primitive Symmetry Species | |
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| Questions | |
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| Problems | |
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| References | |
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| States of Molecular Electrons | |
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| Introduction | |
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| The Hydrogen Molecule Ion Model | |
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| Correlations with Atomic Structures | |
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| Bonding between Two Equivalent Atoms | |
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| Symmetric Three-Center Bonds | |
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| Symmetric Six-Center Bonds | |
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| Conventional Resonance Energy and the True Delocalization Energy | |
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| The Variation Theorem | |
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| Linear Variation Functions | |
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| Bonding between Two Nonequivalent Atoms | |
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| Pi Bonding in Fulvene | |
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| Questions | |
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| Problems | |
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| References | |
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| Phenomenonological Chemical Kinetics | |
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| The Rate of a Reaction | |
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| Reaction Order and Molecularity | |
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| Zero-Order Reactions | |
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| First-Order Reactions | |
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| Second-Order Reactions | |
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| Third-Order Reactions | |
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| Determining the Differential Rate Law | |
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| Determining Order from an Integrated Form | |
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| The Arrhenius Equation | |
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| Reversible First-Order Reactions | |
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| First-Order Reaction Opposed by a Second-Order Reaction | |
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| Perturbation Experiments | |
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| Reactions in High Pressure Gaseous and in Condensed Phases | |
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| The Encounter Rate Constants | |
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| Solution Reaction Rates | |
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| Dependence of the Specific Reaction Rate on Activity Coefficients | |
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| Questions | |
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| Problems | |
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| References | |
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| Explanatory Mechanisms | |
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| Types of Elementary Reactions | |
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| Activation in Simple First-Order Reactions | |
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| Decomposition of Nitrogen Pentoxide | |
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| Hydrogen-Iodine Reactions | |
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| Hydrogen-Bromine Reactions | |
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| Hydrogen-Chlorine Reactions | |
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| Thermal Explosions | |
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| Hydrogen-Oxygen Reactions | |
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| Decomposition of Ethane | |
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| The Activity Coefficient Effect | |
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| Conversion of Ammonium Cyanate to Urea | |
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| Nitration of Aromatic Compounds | |
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| Questions | |
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| Problems | |
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| References | |
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| Statistical Thermodynamics | |
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| Earlier Discussions | |
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| Relating Thermodynamic Properties to the Partition Function | |
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| Relating System Partition Functions to Molecular Ones | |
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| Ideal Translational Entropy | |
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| Energy and Entropy of a Vibrational Mode | |
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| The Ideal Concentration Equilibrium Constant | |
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| Basis for the Distribution Law | |
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| Black-Body Radiation | |
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| Allowance for Particle Transfer | |
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| Fermi-Dirac Statistics | |
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| Bose-Einstein Statistics | |
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| Questions | |
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| Problems | |
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| References | |
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| Reaction Rate Theory | |
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| The Transition State | |
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| The Eyring Equation | |
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| The Kinetic Isotope Effect | |
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| Static Nonideality | |
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| Transition State Recrossings | |
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| Thermodynamic Considerations | |
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| Transition State Location | |
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| Viscous Nonideality | |
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| Variation of the Rate Coefficients with Temperature | |
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| Further Relationships | |
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| Questions | |
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| Problems | |
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| References | |
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| Photochemistry | |
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| Pertinent Wave Properties | |
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| Pertinent Particle Properties | |
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| Phenomenology of Absorption | |
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| Absorption Intensities | |
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| Electronic Transitions | |
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| Reaction Possibilities | |
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| The Hydrogen-Iodine Reaction | |
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| The Hydrogen-Bromine Reaction | |
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| The Hydrogen-Chlorine Reaction | |
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| Photosensitization | |
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| Chemiluminescence | |
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| The Carbon Monoxide-Oxygen Reaction | |
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| Questions | |
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| Problems | |
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| References | |
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| Glossary | |
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| Fundamental Units | |
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| Derived Units | |
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| Physical Constants | |
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| Primitive Character Vectors and Basis Functions for Important Symmetry Groups | |
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| Index | |