Basic Physical Chemistry: The Route To Understanding

Basic Physical Chemistry: The Route To Understanding

by E Brian Smith

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Overview

This elegant book provides a student-friendly introduction to the subject of physical chemistry. It is concise and more compact than standard textbooks on the subject and it emphasises the two important concepts underpinning physical chemistry: quantum mechanics and the second law of thermodynamics. The principles are challenging to students because they both focus on uncertainty and probability. The book explains these fundamental concepts clearly and shows how they offer the key to understanding the wide range of chemical phenomena including atomic and molecular spectra, the structure and properties of solids, liquids and gases, chemical equilibrium, and the rates of chemical reactions.BackgroundEnergyThe First Principle: Energy is Not ContinuousElectrons in AtomsChemical Bonding and Molecular StructureAtomic and Molecular SpectraThe Second Principle: The Higher, the FewerChemical EquilibriumThe States of MatterMixtures and SolutionsRates of Chemical Reactions

Product Details

ISBN-13: 9781848168725
Publisher: Imperial College Press
Publication date: 08/29/2012
Pages: 328
Product dimensions: 6.50(w) x 9.70(h) x 0.80(d)

Table of Contents

Preface vii

Notation xv

Acknowledgements and Credits xix

1 Background 1

1.1 Introduction 1

1.2 The building blocks 3

1.3 The periodic table 5

1.4 Isotopes 5

1.5 Molecules 6

1.6 The mole 8

1.7 Waves 8

1.8 Electromagnetic radiation 10

1.9 The perfect gas 11

1.10 Chemical equilibrium 12

1.11 Ionic equilibria 14

1.12 The next steps 16

2 Energy 17

2.1 Kinetic and potential energy 17

2.2 Kinetic theory of gases 19

2.3 Equipartition of energy 21

2.4 Heat and work 23

2.5 Conservation of energy - The First Law 25

2.6 State functions 25

2.7 Enthalpy 27

2.8 Hess's law 29

2.9 Calorimetry 31

2.10 Coulombic energy 33

2.11 Summary of key principles 35

3 The First Principle: Energy is Not Continuous 37

3.1 The failures of classical physics 37

3.2 Basic ideas of quantum mechanics 39

3.3 The uncertainty principle 42

3.4 Summary of important principles 43

3.5 Translational motion: Particle in a box 44

3.6 Rotational motion 48

3.7 Vibrational motion 50

3.8 The hydrogen-like atom 51

3.9 Hydrogen atom spectra 53

3.10 The Schrödinger wave equation 56

3.11 Quantum mechanics - further considerations 58

4 Electrons in Atoms 61

4.1 Limitations of the simple model 61

4.2 Solution of the Schrödinger equation for many-electron atoms 61

4.3 Electron spin 63

4.4 Many-electron atoms 64

4.5 Pauli exclusion principle and the Aufbau principle 66

4.6 The shielding of outer electrons and atomic properties 69

4.7 Estimating atomic properties 74

4.8 Solving the Schrödinger equation for atoms 77

4.9 The ground state of the helium atom 78

4.10 Summary of key principles 81

5 Chemical Bonding and Molecular Structure 83

5.1 The chemical bond - a historical digression 83

5.2 Valence bond theory 85

5.3 Molecular orbitals 89

5.4 Homonuclear diatomic molecules 93

5.5 Heteronuclear molecules 96

5.6 Hybridisation 97

5.7 Delocalised orbitals 100

5.8 Ab initio calculations 103

5.9 Summary of key principles 105

6 Atomic and Molecular Spectra 107

6.1 Spectroscopy 107

6.2 The intensities of spectroscopic lines 110

6.3 Spectroscopic line widths 113

6.4 Atomic spectra 114

6.5 Two-electron spectra 116

6.6 Russell-Saunders coupling 118

6.7 Molecular spectra 119

6.8 Rotational spectra 120

6.9 Vibrational spectra 124

6.10 Vibrational-rotational spectra 126

6.11 Vibrations of polyatomic molecules 129

6.12 Low-resolution infrared spectra 130

6.13 Raman spectra 132

6.14 Molecular electronic spectra 133

6.15 Low-resolution electronic spectra 137

6.16 The fate of excited electronic states 139

6.17 Nuclear magnetic resonance (NMR) 140

6.18 Electron spin resonance spectroscopy 145

6.19 Summary of key principles 145

7 The Second Principle: The Higher, the Fewer 147

7.1 Equilibrium 147

7.2 Why we need a second principle 149

7.3 The second factor 151

7.4 Microstates 152

7.5 The Boltzmann factor 153

7.6 Entropy 157

7.7 Defining the position of equilibrium 159

7.8 Entropy as a function of pressure and temperature 160

7.9 Partition functions 162

7.10 Determination of thermodynamic functions from partition functions 165

7.11 Summary of key principles 172

8 Chemical Equilibrium 175

8.1 Free energy 175

8.2 Gibbs free energy 176

8.3 The pressure and temperature dependence of Gibbs free energy 177

8.4 Chemical potential 179

8.5 Equilibrium between gaseous reactants 180

8.6 The temperature dependence of the equilibrium constant 183

8.7 The effect of pressure on equilibrium constants 185

8.8 Equilibrium calculations using thermodynamic tables 187

8.9 Equilibrium constants from free energy functions 191

8.10 Equilibrium constants and partition functions 192

8.11 Summary of the basic equations of chemical thermodynamics 196

9 The States of Matter 199

9.1 Gases, liquids and solids 199

9.2 The thermodynamics of phase changes 201

9.3 Intermolecular energy 203

9.4 The origins of intermolecular energy 205

9.5 Gas imperfection 211

9.6 Critical behaviour 213

9.7 Corresponding states 214

9.8 The liquid state 215

9.9 The solid state 217

9.10 Crystal structure 218

9.11 X-ray diffraction 221

9.12 Molecular structures by diffraction methods 224

9.13 Solid surfaces 226

9.14 Summary of key principles 229

10 Mixtures and Solutions 231

10.1 The ideal solution 231

10.2 Truly ideal solutions 233

10.3 Ideal solutions of solids in liquids 235

10.4 Ideal dilute solutions 237

10.5 Non-ideal solutions 241

10.6 Molecular basis of ideality 243

10.7 Ions in solution 245

10.8 Debye-Hückel theory 246

10.9 Electrochemical cells 249

10.10 Summary of key principles 252

11 Rates of Chemical Reactions 255

11.1 The order of reactions 255

11.2 First-order reactions 256

11.3 Second-order reactions 258

11.4 Determination of reaction order 259

11.5 Effect of temperature on reaction rates 260

11.6 Collision theory 261

11.7 Activated complex theory 264

11.8 Thermodynamic interpretation of activated complexes 268

11.9 Unimolecular reactions 269

11.10 Chain reactions 272

11.11 Explosions 275

11.12 Reactions in solution 277

11.13 Catalysis 278

11.14 Reaction dynamics 282

11.15 Photochemical reactions 284

11.16 Summary of key principles 286

Answers to Problems 289

Appendix 1 Thermochemical Data at 298.15 K 290

Appendix 2 Hydrogen-Like Wave Functions 292

Appendix 3 Symmetry 294

Appendix 4 Units and Fundamental Constants 295

Further Reading 297

The Periodic Table 299

Index 301

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