Physical chemistry

著者

• Engel, Thomas
• Reid, Philip (Philip J.)

書誌事項

Physical chemistry

Thomas Engel, Philip Reid

Prentice Hall, c2010

2nd ed

注記

Includes index

内容説明・目次

内容説明

For two-semester courses in Physical Chemistry or Quantum Chemistry. This full-color, modern physical chemistry text offers arresting illustrations that set it apart from others of its kind. The authors focus on core topics of physical chemistry, presented within a modern framework of applications. Extensive math derivations are provided, yet the book retains the significant chemical rigor needed in physical chemistry.

目次

CHAPTER 1: FUNDAMENTAL 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 LAW OF 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 Reversible and Irreversible Processes 2.8 Determining and Introducing Enthalpy, a New State Function 2.9 Calculating q, w, , and 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 V or T? 3.4 The Variation of Enthalpy with Temperature at Constant Pressure 3.5 How Are CP and CV Related? 3.6 The Variation of Enthalpy with Pressure at Constant Temperature 3.7 The Joule-Thomson 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 and 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 Law of 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 = + 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 5.12 (Supplemental) Using the Fact that S Is a State Function to Determine the Dependence of S on V and T 5.13 (Supplemental) The Dependence of S on T and P 5.14 (Supplemental) The Thermodynamic Temperature Scale 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 6.8 Calculating 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 on T and P 6.14 (Supplemental) A Case Study: The Synthesis of Ammonia 6.15 (Supplemental) Expressing U and H and Heat Capacities Solely in Terms of Measurable Quantities 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 Phase Rule 8.4 The Pressure-Volume and Pressure-Volume-Temperature Phase Diagrams 8.5 Providing a Theoretical Basis for the P-T Phase Diagram 8.6 Using the Clapeyron Equation to Calculate Vapor Pressure as a Function of T 8.7 The Vapor Pressure of a Pure Substance Depends on the Applied Pressure 8.8 Surface Tension 8.9 Chemistry in Supercritical Fluids 8.10 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 9.14 Solutions Formed From Partially miscible Liquids 9.15 The Solid-Solution Equilibrium 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 Using the Debye-Huckel 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 Potential 11.4 Chemical Reactions in Electrochemical Cells and the Nernst Equation 11.5 Combining Standard Electrode Potentials to Determine the Cell Potential 11.6 Obtaining Reaction Gibbs Energies and Reaction Entropies from Cell Potentials 11.7 The Relationship between the Cell EMF and the Equilibrium Constant 11.8 Determination of E Degrees and Activity Coefficients Using an Electrochemical Cell 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 11.14 (Supplemental) Electrochemistry at the Atomic Scale 11.15 (Supplemental) Using Electrochemistry for Nanoscale Machining 11.16 (Supplemental) Absolute Half-Cell Potentials 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 12.5 Particles Exhibit Wave-Like Behavior 12.6 Diffraction by a Double Slit 12.7 Atomic Spectra and the Bohr Model for the Hydrogen Atom CHAPTER 13: THE SCHROEDINGER 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 Schroedinger Equation 13.5 Solving the Schroedinger 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 16.8 (Supplemental) Quantum Wells and Quantum Dots 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 17.4 (Supplemental) The Heisenberg Uncertainty Principle Expressed in Terms of Standard Deviations 17.5 (Supplemental) A Thought Experiment Using a Particle in a Three-Dimensional Box 17.6 (Supplemental) Entangled States, Teleportation, and Quantum Computers CHAPTER 18: A QUANTUM MECHANICAL MODEL FOR THE VIBRATION AND ROTATION OF MOLECULES 18.1 Solving the Schroedinger Equation for the Quantum Mechanical Harmonic Oscillator 18.2 Solving the Schroedinger Equation for Rotation in Two Dimensions 18.3 Solving the Schroedinger Equation for Rotation in Three Dimensions 18.4 The Quantization of Angular Momentum 18.5 The Spherical Harmonic Functions 18.6 (Optional Review) The Classical Harmonic Oscillator 18.7 (Optional Review) Angular Motion and the Classical Rigid Rotor 18.8 (Supplemental) Spatial Quantization 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 19.7 (Supplemental) Fourier Transform Infrared Spectroscopy 19.8 (Supplemental) Raman Spectroscopy 19.9 (Supplemental) How Does the Transition Rate between States Depend on Frequency? CHAPTER 20: THE HYDROGEN ATOM 20.1 Formulating the Schroedinger Equation 20.2 Solving the Schroedinger 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 Schroedinger Equation 21.5 The Hartree-Fock Self-Consistent Field Method 21.6 Understanding Trends in the Periodic Table from Hartree-Fock Calculations CHAPTER 22: QUANTUM STATES FOR MANY-ELECTRON ATOMS AND ATOMIC SPECTROSCOPY 22.1 Good Quantum Numbers, Terms, Levels, and States 22.2 The Energy of a Configuration Depends on Both Orbital and Spin Angular Momentum 22.3 Spin-Orbit Coupling Breaks Up a Term into Levels 22.4 The Essentials of Atomic Spectroscopy 22.5 Analytical Techniques Based on Atomic Spectroscopy 22.6 The Doppler Effect 22.7 The Helium-Neon Laser 22.8 Laser Isotope Separation 22.9 Auger Electron and X-Ray Photoelectron Spectroscopies 22.10 Selective Chemistry of Excited States: O(3P) and O(1D) 22.11 (Supplemental) Configurations with Paired and Unpaired Electron Spins Differ in Energy CHAPTER 23: THE CHEMICAL BOND IN DIATOMIC MOLECULES 23.1 The Simplest One-Electron Molecule: 23.2 The Molecular Wave Function for Ground-State 23.3 The Energy Corresponding to the H2+ Molecular Wave Functions 23.4 A Closer Look at the H2+ Molecular Wave Functions 23.5 Combining Atomic Orbitals to Form Molecular Orbitals 23.6 Molecular Orbitals for Homonuclear Diatomic Molecules 23.7 The Electronic Structure of Many-Electron Molecules 23.8 Bond Order, Bond Energy, and Bond Length 23.9 Heteronuclear Diatomic Molecules 23.10 The Molecular Electrostatic Potential CHAPTER 24: MOLECULAR STRUCTURE AND ENERGY LEVELS FOR POLYATOMIC MOLECULES 24.1 Lewis Structures and the VSEPR Model 24.2 Describing Localized Bonds Using Hybridization for Methane, Ethene, and Ethyne 24.3 Constructing Hybrid Orbitals for Nonequivalent Ligands 24.4 Using Hybridization to Describe Chemical Bonding 24.5 Predicting Molecular Structure Using Molecular Orbital Theory 24.6 How Different Are Localized and Delocalized Bonding Models? 24.7 Qualitative Molecular Orbital Theory for Conjugated and Aromatic Molecules: The Huckel Model 24.8 From Molecules to Solids 24.9 Making Semiconductors Conductive at Room Temperature CHAPTER 25: ELECTRONIC SPECTROSCOPY 25.1 The Energy of Electronic Transitions 25.2 Molecular Term Symbols 25.3 Transitions between Electronic States of Diatomic Molecules 25.4 The Vibrational Fine Structure of Electronic Transitions in Diatomic Molecules 25.5 UV-Visible Light Absorption in Polyatomic Molecules 25.6 Transitions among the Ground and Excited States 25.7 Singlet-Singlet Transitions: Absorption and Fluorescence 25.8 Intersystem Crossing and Phosphorescence 25.9 Fluorescence Spectroscopy and Analytical Chemistry 25.10 Ultraviolet Photoelectron Spectroscopy 25.11 Single Molecule Spectroscopy 25.12 Fluorescent Resonance Energy Transfer (FRET) 25.13 Linear and Circular Dichroism 25.14 (Supplemental) Assigning + and - to Terms of Diatomic Molecules CHAPTER 26: COMPUTATIONAL CHEMISTRY 26.1 The Promise of Computational Chemistry 26.2 Potential Energy Surfaces 26.3 Hartree-Fock Molecular Orbital Theory: A Direct Descendant of the Schroedinger Equation 26.4 Properties of Limiting Hartree-Fock Models 26.5 Theoretical Models and Theoretical Model Chemistry 26.6 Moving Beyond Hartree-Fock Theory 26.7 Gaussian Basis Sets 26.8 Selection of a Theoretical Model 26.9 Graphical Models 26.10 Conclusion CHAPTER 27: MOLECULAR SYMMETRY 27.1 Symmetry Elements, Symmetry Operations, and Point Groups 27.2 Assigning Molecules to Point Groups 27.3 The H2O Molecule and the C2v Point Group 27.4 Representations of Symmetry Operators, Bases for Representations, and the Character Table 27.5 The Dimension of a Representation 27.6 Using the C2v Representations to Construct Molecular Orbitals for H2O 27.7 The Symmetries of the Normal Modes of Vibration of Molecules 27.8 Selection Rules and Infrared versus Raman Activity 27.9 (Supplemental) Using the Projection Operator Method to Generate MOs That Are Bases for Irreducible Representations CHAPTER 28: NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY 28.1 Intrinsic Nuclear Angular Momentum and Magnetic Moment 28.2 The Energy of Nuclei of Nonzero Nuclear Spin in a Magnetic Field 28.3 The Chemical Shift for an Isolated Atom 28.4 The Chemical Shift for an Atom Embedded in a Molecule 28.5 Electronegativity of Neighboring Groups and Chemical Shifts 28.6 Magnetic Fields of Neighboring Groups and Chemical Shifts 28.7 Multiplet Splitting of NMR Peaks Arises through Spin-Spin Coupling 28.8 Multiplet Splitting When More Than Two Spins Interact 28.9 Peak Widths in NMR Spectroscopy 28.10 Solid-State NMR 28.11 NMR Imaging 28.12 (Supplemental) The NMR Experiment in the Laboratory and Rotating Frames 28.13 (Supplemental) Fourier Transform NMR Spectroscopy 28.14 (Supplemental) Two-Dimensional NMR CHAPTER 29: PROBABILITY 29.1 Why Probability? 29.2 Basic Probability Theory 29.3 Stirling's Approximation 29.4 Probability Distribution Functions 29.5 Probability Distributions Involving Discrete and Continuous Variables 29.6 Characterizing Distribution Functions CHAPTER 30: THE BOLTZMANN DISTRIBUTION 30.1 Microstates and Configurations 30.2 Derivation of the Boltzmann Distribution 30.3 Dominance of the Boltzmann Distribution 30.4 Physical Meaning of the Boltzmann Distribution Law 30.5 The Definition of CHAPTER 31: ENSEMBLE AND MOLECULAR PARTITION FUNCTIONS 31.1 The Canonical Ensemble 31.2 Relating Q to q for an Ideal Gas 31.3 Molecular Energy Levels 31.4 Translational Partition Function 31.5 Rotational Partition Function: Diatomics 31.6 Rotational Partition Function: Polyatomics 31.7 Vibrational Partition Function 31.8 The Equipartition Theorem 31.9 Electronic Partition Function 31.10 Review CHAPTER 32: STATISTICAL THERMODYNAMICS 32.1 Energy 32.2 Energy and Molecular Energetic Degrees of Freedom 32.3 Heat Capacity 32.4 Entropy 32.5 Residual Entropy 32.6 Other Thermodynamic Functions 32.7 Chemical Equilibrium CHAPTER 33: KINETIC THEORY OF GASES 33.1 Kinetic Theory of Gas Motion and Pressure 33.2 Velocity Distribution in One Dimension 33.3 The Maxwell Distribution of Molecular Speeds 33.4 Comparative Values for Speed Distributions: 33.5 Gas Effusion 33.6 Molecular Collisions 33.7 The Mean Free Path CHAPTER 34: TRANSPORT PHENOMENA 34.1 What Is Transport? 34.2 Mass Transport: Diffusion 34.3 The Time Evolution of a Concentration Gradient 34.4 (Supplemental) Statistical View of Diffusion 34.5 Thermal Conduction 34.6 Viscosity of Gases 34.7 Measuring Viscosity 34.8 Diffusion in Liquids and Viscosity of Liquids 34.9 (Supplemental) Sedimentation and Centrifugation 34.10 Ionic Conduction CHAPTER 35: ELEMENTARY CHEMICAL KINETICS 35.1 Introduction to Kinetics 35.2 Reaction Rates 35.3 Rate Laws 35.4 Reaction Mechanisms 35.5 Integrated Rate Law Expressions 35.6 (Supplemental) Numerical Approaches 35.7 Sequential First-Order Reactions 35.8 Parallel Reactions 35.9 Temperature Dependence of Rate Constants 35.10 Reversible Reactions and Equilibrium 35.11 (Supplemental) Perturbation-Relaxation Methods 35.12 (Supplemental) The Autoionization of Water: A T-Jump Example 35.13 Potential Energy Surfaces 35.14 Activated Complex Theory CHAPTER 36: COMPLEX REACTION MECHANISMS 36.1 Reaction Mechanisms and Rate Laws 36.2 The Preequilibrium Approximation 36.3 The Lindemann Mechanism 36.4 Catalysis 36.5 Radical-Chain Reactions 36.6 Radical-Chain Polymerization 36.7 Explosions 36.8 Photochemistry APPENDIX A Math Supplement APPENDIX B Data Tables APPENDIX C Point Group Character Tables APPENDIX D Answers to Selected End-of-Chapter Problems INDEX

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詳細情報

• NII書誌ID(NCID): BB01338513
• ISBN:
  • 9780321615053
• LCCN: 2009008678
• 出版国コード: us
• タイトル言語コード: eng
• 本文言語コード: eng
• 出版地: New York
• ページ数/冊数: xviii, 1067 p.
• 大きさ: 29 cm
• 分類:
  • LCC : QD453.3
  • DC22 : 541
• 件名:
  • LCSH : Chemistry, Physical and theoretical -- Textbooks