| Preface | p. vii |
| Notation | p. xv |
| Acknowledgements and Credits | p. xix |
| Background | p. 1 |
| Introduction | p. 1 |
| The building blocks | p. 3 |
| The periodic table | p. 5 |
| Isotopes | p. 5 |
| Molecules | p. 6 |
| The mole | p. 8 |
| Waves | p. 8 |
| Electromagnetic radiation | p. 10 |
| The perfect gas | p. 11 |
| Chemical equilibrium | p. 12 |
| Ionic equilibria | p. 14 |
| The next steps | p. 16 |
| Energy | p. 17 |
| Kinetic and potential energy | p. 17 |
| Kinetic theory of gases | p. 19 |
| Equipartition of energy | p. 21 |
| Heat and work | p. 23 |
| Conservation of energy - The First Law | p. 25 |
| State functions | p. 25 |
| Enthalpy | p. 27 |
| Hess's law | p. 29 |
| Calorimetry | p. 31 |
| Coulombic energy | p. 33 |
| Summary of key principles | p. 35 |
| The First Principle: Energy is Not Continuous | p. 37 |
| The failures of classical physics | p. 37 |
| Basic ideas of quantum mechanics | p. 39 |
| The uncertainty principle | p. 42 |
| Summary of important principles | p. 43 |
| Translational motion: Particle in a box | p. 44 |
| Rotational motion | p. 48 |
| Vibrational motion | p. 50 |
| The hydrogen-like atom | p. 51 |
| Hydrogen atom spectra | p. 53 |
| The Schrödinger wave equation | p. 56 |
| Quantum mechanics - further considerations | p. 58 |
| Electrons in Atoms | p. 61 |
| Limitations of the simple model | p. 61 |
| Solution of the Schrödinger equation for many-electron atoms | p. 61 |
| Electron spin | p. 63 |
| Many-electron atoms | p. 64 |
| Pauli exclusion principle and the Aufbau principle | p. 66 |
| The shielding of outer electrons and atomic properties | p. 69 |
| Estimating atomic properties | p. 74 |
| Solving the Schrödinger equation for atoms | p. 77 |
| The ground state of the helium atom | p. 78 |
| Summary of key principles | p. 81 |
| Chemical Bonding and Molecular Structure | p. 83 |
| The chemical bond - a historical digression | p. 83 |
| Valence bond theory | p. 85 |
| Molecular orbitals | p. 89 |
| Homonuclear diatomic molecules | p. 93 |
| Heteronuclear molecules | p. 96 |
| Hybridisation | p. 97 |
| Delocalised orbitals | p. 100 |
| Ab initio calculations | p. 103 |
| Summary of key principles | p. 105 |
| Atomic and Molecular Spectra | p. 107 |
| Spectroscopy | p. 107 |
| The intensities of spectroscopic lines | p. 110 |
| Spectroscopic line widths | p. 113 |
| Atomic spectra | p. 114 |
| Two-electron spectra | p. 116 |
| Russell-Saunders coupling | p. 118 |
| Molecular spectra | p. 119 |
| Rotational spectra | p. 120 |
| Vibrational spectra | p. 124 |
| Vibrational-rotational spectra | p. 126 |
| Vibrations of polyatomic molecules | p. 129 |
| Low-resolution infrared spectra | p. 130 |
| Raman spectra | p. 132 |
| Molecular electronic spectra | p. 133 |
| Low-resolution electronic spectra | p. 137 |
| The fate of excited electronic states | p. 139 |
| Nuclear magnetic resonance (NMR) | p. 140 |
| Electron spin resonance spectroscopy | p. 145 |
| Summary of key principles | p. 145 |
| The Second Principle: The Higher, the Fewer | p. 147 |
| Equilibrium | p. 147 |
| Why we need a second principle | p. 149 |
| The second factor | p. 151 |
| Microstates | p. 152 |
| The Boltzmann factor | p. 153 |
| Entropy | p. 157 |
| Defining the position of equilibrium | p. 159 |
| Entropy as a function of pressure and temperature | p. 160 |
| Partition functions | p. 162 |
| Determination of thermodynamic functions from partition functions | p. 165 |
| Summary of key principles | p. 172 |
| Chemical Equilibrium | p. 175 |
| Free energy | p. 175 |
| Gibbs free energy | p. 176 |
| The pressure and temperature dependence of Gibbs free energy | p. 177 |
| Chemical potential | p. 179 |
| Equilibrium between gaseous reactants | p. 180 |
| The temperature dependence of the equilibrium constant | p. 183 |
| The effect of pressure on equilibrium constants | p. 185 |
| Equilibrium calculations using thermodynamic tables | p. 187 |
| Equilibrium constants from free energy functions | p. 191 |
| Equilibrium constants and partition functions | p. 192 |
| Summary of the basic equations of chemical thermodynamics | p. 196 |
| The States of Matter | p. 199 |
| Gases, liquids and solids | p. 199 |
| The thermodynamics of phase changes | p. 201 |
| Intermolecular energy | p. 203 |
| The origins of intermolecular energy | p. 205 |
| Gas imperfection | p. 211 |
| Critical behaviour | p. 213 |
| Corresponding states | p. 214 |
| The liquid state | p. 215 |
| The solid state | p. 217 |
| Crystal structure | p. 218 |
| X-ray diffraction | p. 221 |
| Molecular structures by diffraction methods | p. 224 |
| Solid surfaces | p. 226 |
| Summary of key principles | p. 229 |
| Mixtures and Solutions | p. 231 |
| The ideal solution | p. 231 |
| Truly ideal solutions | p. 233 |
| Ideal solutions of solids in liquids | p. 235 |
| Ideal dilute solutions | p. 237 |
| Non-ideal solutions | p. 241 |
| Molecular basis of ideality | p. 243 |
| Ions in solution | p. 245 |
| Debye-Hückel theory | p. 246 |
| Electrochemical cells | p. 249 |
| Summary of key principles | p. 252 |
| Rates of Chemical Reactions | p. 255 |
| The order of reactions | p. 255 |
| First-order reactions | p. 256 |
| Second-order reactions | p. 258 |
| Determination of reaction order | p. 259 |
| Effect of temperature on reaction rates | p. 260 |
| Collision theory | p. 261 |
| Activated complex theory | p. 264 |
| Thermodynamic interpretation of activated complexes | p. 268 |
| Unimolecular reactions | p. 269 |
| Chain reactions | p. 272 |
| Explosions | p. 275 |
| Reactions in solution | p. 277 |
| Catalysis | p. 278 |
| Reaction dynamics | p. 282 |
| Photochemical reactions | p. 284 |
| Summary of key principles | p. 286 |
| Answers to Problems | p. 289 |
| Thermochemical Data at 298.15 K | p. 290 |
| Hydrogen-Like Wave Functions | p. 292 |
| Symmetry | p. 294 |
| Units and Fundamental Constants | p. 295 |
| Further Reading | p. 297 |
| The Periodic Table | p. 299 |
| Index | p. 301 |
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