Includes bibliographical references and index.

Chapter 1Fundamental Concepts of Thermodynamics
1.1 What Is Thermodynamics and Why Is It Useful?
1.2 Basic Definitions Needed to Describe Thermodynamic Systems
1.3 Thermometry
1.4 Equations of State and the Ideal Gas Law
1.5 A Brief Introduction to Real Gases
Chapter 2 Heat, Work, Internal Energy, Enthalpy,and the First Lawof Thermodynamics
2.1 The Internal Energy and the First Law of Thermodynamics
2.2 Work
2.3 Heat
2.4 Heat Capacity
2.5 State Functions and Path Functions
2.6 Equilibrium, Change, and Reversibility
2.7 Comparing Work for Reversibleand Irreversible Processes
2.8 Determining U and Introducing Enthalpy, a New State Function
2.9 Calculating q, w, U, and H for Processes Involving Ideal Gases
2.10 The Reversible Adiabatic Expansion and Compression of an Ideal Gas
Chapter 3 The Importance of State Functions: Internal Energy and Enthalpy
3.1 The Mathematical Properties of State Functions
3.2 The Dependence of U on V and T
3.3 Does the Internal Energy Depend More Strongly on Vor T?
3.4 The Variation of Enthalpy with Temperature at Constant Pressure
3.5 How Are CP and CVRelated?
3.6 The Variation of Enthalpy with Pressure at Constant Temperature
3.7 The Joule-Thompson Experiment
3.8 Liquefying Gases Using an Isenthalpic Expansion
Chapter 4 Thermochemistry
4.1 Energy Stored in Chemical Bonds Is Released or Taken Up in Chemical Reactions
4.2 Internal Energy and Enthalpy Changes Associated with Chemical Reactions
4.3 Hess?s Law Is Based on Enthalpy Being a State Function
4.4 The Temperature Dependence of Reaction Enthalpies
4.5 The Experimental Determination of ?U and ?H for Chemical Reactions
4.6 Differential Scanning Calorimetry
Chapter 5 Entropy and the Second and Third Laws of Thermodynamics
5.1 The Universe Has a Natural Direction of Change
5.2 Heat Engines and the Second Lawof Thermodynamics
5.3 Introducing Entropy
5.4 Calculating Changes in Entropy
5.5 Using Entropy to Calculate the Natural Direction of a Process in an Isolated System
5.6 The Clausius Inequality
5.7 The Change of Entropy in the Surroundings and DS total 5DS1DS surrounding
5.8 Absolute Entropies and the Third Law of Thermodynamics
5.9 Standard States in Entropy Calculations
5.10 Entropy Changes in Chemical Reactions
5.11 Refrigerators, Heat Pumps, and Real Engines
Chapter 6 Chemical Equilibrium
6.1 The Gibbs Energy and the Helmholtz Energy
6.2 The Differential Forms of U,H, A, and G
6.3 The Dependence of the Gibbs and Helmholtz Energies on P, V, and T
6.4 The Gibbs Energy of a Reaction Mixture
6.5 The Gibbs Energy of a Gas in a Mixture
6.6 Calculating the Gibbs Energy of Mixing for Ideal Gases
6.7 Expressing Chemical Equilibrium in an Ideal Gas Mixture in Terms of the æi
6.8 Calculating ?Greaction and Introducing the Equilibrium Constant for a Mixture of Ideal Gases
6.9 Calculating the Equilibrium Partial Pressures in a Mixture of Ideal Gases
6.10 The Variation of KP with Temperature
6.11 Equilibria Involving Ideal Gases and Solid or Liquid Phases
6.12 Expressing the Equilibrium Constant in Terms of Mole Fraction or Molarity
6.13 The Dependence of jeq on T and P
Chapter 7 The Properties of Real Gases
7.1 Real Gases and Ideal Gases
7.2 Equations of State for Real Gases and Their Range of Applicability
7.3 The Compression Factor
7.4 The Law of Corresponding States
7.5 Fugacity and the Equilibrium Constant for Real Gases
Chapter 8 Phase Diagrams and the Relative Stability of Solids, Liquids, and Gases
8.1 What Determines the Relative Stability of the Solid, Liquid, and Gas Phases?
8.2 The Pressure?Temperature Phase Diagram
8.3 The Pressure?Volume and Pressure?Volume?Temperature Phase Diagrams
8.4 Providing a Theoretical Basis for the P?T Phase Diagram
8.5 Using the Clapeyron Equation to Calculate Vapor Pressure as a Function of T
8.6 The Vapor Pressure of a Pure Substance Depends on the Applied Pressure
8.7 Surface Tension
8.8 Chemistry in Supercritical Fluids
8.9 Liquid Crystals and LCD Displays
Chapter 9 Ideal and Real Solutions
9.1 Defining the Ideal Solution
9.2 The Chemical Potential of a Component in the Gas and Solution Phases
9.3 Applying the Ideal Solution Model to Binary Solutions
9.4 The Temperature?Composition Diagram and Fractional Distillation
9.5 The Gibbs?Duhem Equation
9.6 Colligative Properties
9.7 The Freezing Point Depression and Boiling Point Elevation
9.8 The Osmotic Pressure
9.9 Real Solutions Exhibit Deviations from Raoult?s Law
9.10 The Ideal Dilute Solution
9.11 Activities Are Defined with Respect to Standard States
9.12 Henry?s Law and the Solubility of Gases in a Solvent
9.13 Chemical Equilibrium in Solutions
Chapter 10 Electrolyte Solutions
10.1 The Enthalpy, Entropy, and Gibbs Energy of Ion Formation in Solutions
10.2 Understanding the Thermodynamics of Ion Formation and Solvation
10.3 Activities and Activity Coefficients for Electrolyte Solutions
10.4 Calculating gñ Using the Debye?Hückel Theory
10.5 Chemical Equilibrium in Electrolyte Solutions
Chapter 11 Electrochemical Cells, Batteries, and Fuel Cells
11.1 The Effect of an Electrical Potential on the Chemical Potential of Charged Species
11.2 Conventions and Standard States in Electrochemistry
11.3 Measurement of the Reversible Cell Potentia
11.4 Chemical Reactions in Electrochemical Cells and the Nernst Equation
11.5 Combining Standard Electrode Potentials to Determine the Cell Potential
11.7 The Relationship between the Cell EMF and the Equilibrium Constant
11.6 Obtaining Reaction Gibbs Energies and Reaction Entropies from Cell Potentials
11.8 Determination of E° and Activity Coefficients Using an Electrochemical Cel
11.9 Cell Nomenclature and Types of Electrochemical Cells
11.10 The Electrochemical Series
11.11 Thermodynamics of Batteries and Fuel Cells
11.12 The Electrochemistry of Commonly Used Batteries
11.13 Fuel Cells
Chapter 12 From Classical to Quantum Mechanics
12.1 Why Study Quantum Mechanics?
12.2 Quantum Mechanics Arose Out of the Interplay of Experiments and Theory
12.3 Blackbody Radiation
12.4 The Photoelectric Effect
12.6 Diffraction by a Double Slit
12.5 Particles Exhibit Wave-Like Behavior
12.7 Atomic Spectra

Chapter 13 The Schrödinger Equation
13.1 What Determines If a System Needs to Be Described Using Quantum Mechanics?
13.2 Classical Waves and the Nondispersive Wave Equation
13.3 Waves Are Conveniently Represented as Complex Functions
13.4 Quantum Mechanical Waves _and the Schrödinger Equation
13.5 Solving the Schrödinger Equation: Operators, Observables, Eigenfunctions, and Eigenvalues
13.6 The Eigenfunctions of a Quantum Mechanical Operator Are Orthogonal
13.7 The Eigenfunctions of a Quantum Mechanical Operator Form a Complete Set
13.8 Summing Up the New Concepts
Chapter 14 The Quantum Mechanical Postulates
14.1 The Physical Meaning Associated with the Wave Function
14.2 Every Observable Has a Corresponding Operator
14.3 The Result of an Individual Measurement
14.4 The Expectation Value
14.5 The Evolution in Time of a Quantum Mechanical System
Chapter 15 Using Quantum Mechanics on Simple Systems
15.1 The Free Particle
15.2 The Particle in a One-Dimensional Box
15.3 Two- and Three-Dimensional Boxes
15.4 Using the Postulates to Understand the Particle in the Box and Vice Versa
Chapter 16 The Particle in the Box and the Real World
16.1 The Particle in the Finite Depth Box
16.2 Differences in Overlap between Core and Valence Electrons
16.3 Pi Electrons in Conjugated Molecules Can Be Treated as Moving Freely in a Box
16.4 Why Does Sodium Conduct Electricity and Why Is Diamond an Insulator?
16.5 Tunneling through a Barrier
16.6 The Scanning Tunneling Microscope
16.7 Tunneling in Chemical Reactions
Chapter 17 Commuting and Noncommuting Operators and the Surprising Consequences of
Entanglement
17.1 Commutation Relations
17.2 The Stern-Gerlach Experiment
17.3 The Heisenberg Uncertainty Principle
Chapter 18 A Quantum Mechanical Model for the Vibration and Rotation of Molecules
18.1 Solving the Schrödinger Equation for the Quantum Mechanical Harmonic Oscillator
18.2 Solving the Schrödinger Equation for Rotation in Two Dimensions
18.3 Solving the Schrödinger Equation for Rotation in Three Dimensions
18.4 The Quantization of Angular Momentum
18.5 The Spherical Harmonic Functions
Chapter 19 The Vibrational and Rotational Spectroscopy of Diatomic Molecules
19.1 An Introduction to Spectroscopy
19.2 Absorption, Spontaneous Emission, and Stimulated Emission
19.3 An Introduction to Vibrational Spectroscopy
19.4 The Origin of Selection Rules
19.5 Infrared Absorption Spectroscopy
19.6 Rotational Spectroscopy
Chapter 20 The Hydrogen Atom
20.1 Formulating the Schrödinger Equation
20.2 Solving the Schrödinger Equation for the Hydrogen Atom
20.3 Eigenvalues and Eigenfunctions for the Total Energy
20.4 The Hydrogen Atom Orbitals
20.5 The Radial Probability Distribution Function
20.6 The Validity of the Shell Model of an Atom
Chapter 21 Many-Electron Atoms
21.1 Helium: The Smallest Many-Electron Atom
21.2 Introducing Electron Spin
21.3 Wave Functions Must Reflect the Indistinguishability of Electrons
21.4 Using the Variational Method to Solve the Schrödinger Equation
21.5 The Hartree-Fock Self-Consistent Field Method
21.6 Understanding Trends in the Periodic Table from Hartree-Fock Calculations
21.7 Good Quantum Numbers, Terms, Levels, and States
21.8 The Energy of a Configuration Depends on Both Orbital and Spin Angular Momentum
21.9 Spin-Orbit Coupling Breaks Up a Term into Levels
Chapter 22
Examples of Spectroscopy Involving Atoms
22.1 The Essentials of Atomic Spectroscopy
22.2 Analytical Techniques Based on Atomic Spectroscopy
22.3 The Doppler Effect
22.4 The Helium-Neon Laser
22.5 Laser Isotope Separation
22.6 Auger Electron and X-Ray Photoelectron Spectroscopies
22.7 Selective Chemistry of Excited States: O(3P) and O(1D)
Chapter 23 Chemical Bonding in H12 and H2
23.1 Quantum Mechanics and the Chemical Bond
23.2 The Simplest One-Electron Molecule: H21
23.3 The Molecular Wave Function for Ground-State H21
23.4 The Energy Corresponding to the Molecular Wave Functions cg and cu
23.5 A Closer Look at the Molecular Wave Functions cg and cu
23.6 The H2O Molecule: Molecular Orbital and Valence Bond Models
23.7 Comparing the Valence Bond and Molecular Orbital Models of the Chemical Bond
Chapter 24 Chemical Bonding in Diatomic Molecules
24.1 Solving the Schrödinger Equation for Many-Electron Molecules
24.2 Expressing Molecular Orbitals as a Linear Combination of Atomic Orbitals
24.3 The Molecular Orbital Energy Diagram
24.4 Molecular Orbitals for Homonuclear Diatomic Molecules
24.5 The Electronic Structure of Many-Electron Molecules
24.6 Bond Order, Bond Energy, and Bond Length
24.7 Heteronuclear Diatomic Molecules
24.8 The Molecular Electrostatic Potential
Chapter 25 Molecular Structureand Energy Levels for Polyatomic Molecules
25.1 Lewis Structures and the VSEPR Model
25.2 Describing Localized Bonds Using Hybridization for Methane, Ethene, and Ethyne
25.3 Constructing Hybrid Orbitals for Nonequivalent Ligands
25.4 Using Hybridization to Describe Chemical Bonding
25.5 Predicting Molecular Structure Using Molecular Orbital Theory
25.6 How Different Are Localized and Delocalized Bonding Models?
25.7 Qualitative Molecular Orbital Theory for Conjugated and Aromatic Molecules: The Hückel
Model
25.8 From Molecules to Solids
25.9 Making Semiconductors Conductive at Room Temperature
Chapter 26 Electronic Spectroscopy
26.1 The Energy of Electronic Transitions
26.2 Molecular Term Symbols
26.3 Transitions Between Electronic States of Diatomic Molecules
26.4 The Vibrational Fine Structure of Electronic Transitions in Diatomic Molecules
26.5 UV-Visible Light Absorption in Polyatomic Molecules
26.6 Transitions among the Groundand Excited States
26.7 Singlet?Singlet Transitions: Absorption and Fluorescence
26.8 Intersystem Crossingand Phosphorescence
26.9 Fluorescence Spectroscopyand Analytical Chemistry
26.10 Ultraviolet Photoelectron Spectroscopy
Chapter 27 Computational Chemistry
27.1 Introduction
27.2 Potential Energy Surfaces
27.3 Hartree-Fock Molecular Orbital Theory: A Direct Descendant of the Schrödinger Equation
27.4 Properties of Limiting Hartree-Fock Models
27.5 Theoretical Models and Theoretical Model Chemistry
27.6 Moving Beyond Hartree-Fock Theory
27.7 Gaussian Basis Sets
27.8 Selection of a Theoretical Model
27.9 Graphical Models
27.10 Conclusion
Chapter 28 Molecular Symmetry
28.1 Symmetry Elements, Symmetry Operations, and Point Groups
28.2 Assigning Molecules to Point Groups
28.3 The H2O Molecule and the C2v Point Group
28.4 Representations of Symmetry Operators, Bases for Representations, and the Character Table
28.5 The Dimension of a Representation
28.6 Using the C2v Representations to Construct Molecular Orbitals for H2O
28.7 The Symmetries of the Normal Modes of Vibration of Molecules
28.8 Selection Rules and Infrared versus Raman Activity
Chapter 29 Nuclear Magnetic Resonance Spectroscopy
29.1 Intrinsic Nuclear Angular Momentum and Magnetic Moment
29.2 The Energy of Nuclei of Nonzero Nuclear Spin in a Magnetic Field
29.3 The Chemical Shift for an Isolated Atom
29.4 The Chemical Shift for an Atom Embedded in a Molecule
29.5 Electronegativity of Neighboring Groups and Chemical Shifts
29.6 Magnetic Fields of Neighboring Groups and Chemical Shifts
29.7 Multiplet Splitting of NMR Peaks Arises through Spin?Spin Coupling
29.8 Multiplet Splitting When More Than Two Spins Interact
29.9 Peak Widths in NMR Spectroscopy
29.10 Solid-State NMR
29.11 NMR Imaging
Chapter 30 Probability
30.1 Why Probability?
30.2 Basic Probability Theory
30.3 Stirling?s Approximation
30.4 Probability Distribution Functions
30.5 Probability Distributions Involving Discrete and Continuous Variables
30.6 Characterizing Distribution Functions
Chapter 31 The Boltzmann Distribution
31.1 Microstates and Configurations
31.2 Derivation of the Boltzmann Distribution
31.3 Dominance of the Boltzmann Distribution
31.4 Physical Meaning of the Boltzmann Distribution Law
31.5 The Definition of b
Chapter 32 Ensemble and Molecular Partition Functions
32.1 The Canonical Ensemble
32.2 Relating Q to q for an Ideal Gas
32.3 Molecular Energy Levels
32.4 Translational Partition Function
32.5 Rotational Partition Function: Diatomics
32.6 Rotational Partition Function: Polyatomics
32.7 Vibrational Partition Function
32.8 The Equipartition Theorem
32.9 Electronic Partition Function
32.10 Review
Chapter 33 Statistical Thermodynamics
33.1 Energy
33.2 Energy and Molecular Energetic Degrees of Freedom
33.3 Heat Capacity
33.4 Entropy
33.5 Residual Entropy
33.6 Other Thermodynamic Functions
33.7 Chemical Equilibrium
Chapter 34 Kinetic Theory of Gase
34.1 Kinetic Theory of Gas Motion and Pressure
34.2 Velocity Distribution in One Dimension
34.3 The Maxwell Distribution of Molecular Speeds
34.4 Comparative Values for Speed Distribution: vave, vmp, and vrms
34.6 Molecular Collisions
34.7 The Mean Free Path
Chapter 35 Transport Phenomena
35.1 What Is Transport?
35.2 Mass Transport: Diffusion
35.3 The Time Evolution of a Concentration Gradient
35.5 Thermal Conduction
35.6 Viscosity of Gases
35.7 Measuring Viscosity
35.8 Diffusion in Liquids and Viscosity of Liquids
35.10 Ionic Conduction
Chapter 36 Elementary Chemical Kinetics
36.1 Introduction to Kinetics
36.2 Reaction Rates
36.3 Rate Laws
36.4 Reaction Mechanisms
36.5 Integrated Rate Law Expressions
36.7 Sequential First-Order Reactions
36.8 Branching Reactions
36.9 Temperature Dependence of Rate Constants
36.10 Reversible Reactions and Equilibrium
36.13 Potential Energy Surfaces
36.14 Activated Complex Theory
Chapter 37 Complex Reaction Mechanisms
37.1 Reaction Mechanisms and Rate Laws
37.2 The Preequilibrium Approximation
37.3 The Lindemann Mechanism
37.4 Catalysis
37.5 Radical-Chain Reactions
37.6 Radical-Chain Polymerization
37.7 Explosions
37.8 Photochemistry