Preface to the First Edition |
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xi | (2) |
Preface to the Second Edition |
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xiii | |
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Chapter 1 Theories in Conflict |
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1 | (9) |
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1 | (1) |
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1 | (9) |
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1.2.1 The atomic orbital model |
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2 | (1) |
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1.2.2 The hybrid orbital model |
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3 | (1) |
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1.2.3 The electron-pair-repulsion model |
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4 | (1) |
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1.2.4 The electron-spin-repulsion model |
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5 | (1) |
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1.2.5 Accurate calculations |
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6 | (4) |
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Chapter 2 The Symmetry of the Water Molecule |
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10 | (25) |
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2.1 Symmetry Operations and Symmetry Elements |
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10 | (7) |
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2.2 Multipliers Associated with Symmetry Operations |
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17 | (8) |
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2.3 Group Multiplication Tables |
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25 | (4) |
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29 | (4) |
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33 | (2) |
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Chapter 3 The Electronic Structure of the Water Molecule |
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35 | (28) |
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3.1 The Orthonormal Properties of Irreducible Representations |
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35 | (2) |
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3.2 The Transformation Properties of Atomic Orbitals in the Water Molecule |
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37 | (3) |
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3.3 A Reducible Representation |
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40 | (3) |
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3.4 Symmetry-adapted Combinations |
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43 | (2) |
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3.5 The Bonding Interactions in H(2)O and their Angular Dependence |
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45 | (7) |
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3.6 The Molecular Orbital Energy Level Diagram for H(2)O |
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52 | (2) |
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3.7 Comparison with Experiment |
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54 | (2) |
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3.8 The Walsh Diagram for Triatomic Dihydrides |
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56 | (2) |
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3.9 Simple Models for the Bonding in H(2)O |
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58 | (2) |
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3.10 A rapprochement between Simple and Symmetry Models |
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60 | (2) |
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62 | (1) |
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Chapter 4 The D(2h) Character Table and the Electronic Structures of Ethene and Diborane |
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63 | (34) |
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4.1 The Symmetry of the Ethene Molecule |
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63 | (3) |
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4.2 The Character and Multiplication Tables of the D(2h) Group |
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66 | (2) |
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4.3 Direct Products of Groups |
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68 | (3) |
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4.4 The Symmetries of the Carbon Atomic Orbitals in Ethene |
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71 | (8) |
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4.5 The Symmetries of the Hydrogen Is Orbitals in Ethene |
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79 | (2) |
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4.6 The Projection Operator Method |
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81 | (3) |
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4.7 Bonding in the Ethene Molecule |
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84 | (3) |
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4.8 Bonding in the Diborane Molecule |
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87 | (5) |
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4.9 Comparison with other Models |
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92 | (4) |
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96 | (1) |
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Chapter 5 The Electronic Structure of Bromine Pentafluoride, BrF(5) |
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97 | (26) |
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5.1 Symmetry Operations of the C(4v) Group |
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99 | (2) |
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5.2 Problems in Using the C(4v) Group |
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101 | (2) |
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5.3 Orthonormality Relationships |
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103 | (4) |
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5.4 The Derivation of the C(4v) Character Table Using the Orthonormality Theorems |
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107 | (5) |
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5.5 The Bonding in the BrF(5) Molecule |
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112 | (10) |
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122 | (1) |
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Chapter 6 The Electronic Structure of the Ammonia Molecule |
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123 | (15) |
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6.1 The Symmetry of the Ammonia Molecule |
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123 | (5) |
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6.2 The Bonding in the Ammonia Molecule |
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128 | (9) |
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137 | (1) |
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Chapter 7 The Electronic Structures of some Cubic Molecules |
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138 | (42) |
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7.1 The Symmetry Operations of the Octahedron |
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139 | (10) |
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7.2 The Bonding in the SF(6) Molecule |
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149 | (13) |
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7.3 Octahedral Transition Metal Complexes |
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162 | (9) |
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7.4 The Bonding in Tetrahedral Molecules |
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171 | (3) |
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7.5 The Determination of the Point Group of a Molecule |
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174 | (4) |
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178 | (2) |
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Chapter 8 Groups and Subgroups |
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180 | (11) |
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8.1 Invariant and Non-invariant Subgroups |
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180 | (5) |
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185 | (5) |
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190 | (1) |
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Chapter 9 Molecular Vibrations |
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191 | (14) |
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191 | (2) |
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193 | (5) |
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9.3 The Whole-molecule Method |
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198 | (3) |
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9.4 The Vibrations of Already-vibrating Molecules |
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201 | (3) |
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204 | (1) |
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Chapter 10 Direct Products |
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205 | (22) |
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10.1 The Symmetry of Product Functions |
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205 | (4) |
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10.2 Configurations and Terms |
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209 | (5) |
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10.3 Direct Products and Quantum Mechanical Integrals |
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214 | (6) |
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10.4 Spectroscopic Selection Rules |
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220 | (6) |
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226 | (1) |
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Chapter 11 p-Electron Systems |
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227 | (18) |
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11.1 Square Cyclobutadiene and the C(4) Point Group |
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227 | (4) |
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231 | (1) |
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11.3 Working with Complex Characters |
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232 | (1) |
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11.4 The p Orbitals of Cyclobutadiene |
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233 | (2) |
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11.5 The Energies of the p Orbitals of Cyclobutadiene in the Hückel Approximation |
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235 | (5) |
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11.6 Symmetry and Chemical Reactions |
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240 | (4) |
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244 | (1) |
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245 | (46) |
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245 | (8) |
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12.2 The Bravais Lattices |
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253 | (7) |
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12.3 The 32 Crystallographic Point Groups |
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260 | (4) |
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12.4 The Symmorphic Space Groups |
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264 | (6) |
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12.5 The Non-symmorphic Space groups |
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270 | (3) |
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12.6 Non-symmorphic Relatives of the Point Group D(2) |
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273 | (10) |
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12.7 The Space Group P2(1)/c (C^5(2h)) |
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283 | (3) |
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286 | (1) |
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12.9 Wigner-Seitz Unit Cells |
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287 | (3) |
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290 | (1) |
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Chapter 13 Spectroscopic Studies of Crystals |
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291 | (15) |
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13.1 Translational Invariance |
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291 | (2) |
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13.2 The Factor Group and Unit Cell Group Models |
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293 | (3) |
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13.3 Examples of Use of the Factor and Unit Cell Group Models |
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296 | (9) |
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13.3.1 The v(CO) spectra of crystalline (C(6)H(6))Cr(CO)(3) |
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296 | (4) |
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13.3.2 The vibrational spectrum of a M(C=O)(3) species crystallizing in the C2/c (C^6(2h)) space group using the unit cell model |
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300 | (5) |
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305 | (1) |
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Appendix 1 Groups and Classes: Definitions and Examples |
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306 | (11) |
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306 | (2) |
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A1.2 Some Examples of Groups |
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308 | (2) |
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A1.3 The Classes of a Group |
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310 | (4) |
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314 | (3) |
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Appendix 2 The Mathematical Basis of Group Theory |
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317 | (31) |
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A2.1 Matrix Algebra and Symmetry Operations |
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317 | (9) |
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326 | (5) |
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A2.3 The Orthonormality Relationships |
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331 | (10) |
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A2.4 The Reduction of Reducible Representations |
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341 | (7) |
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Appendix 3 Character Tables of the more Important Point Groups |
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348 | (41) |
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Appendix 4 The Fluorine Group Orbitals of p Symmetry in SF(6) |
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389 | (15) |
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Appendix 5 The C(8v) and D(8h) Point Groups |
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404 | (5) |
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Appendix 6 Hermann-Mauguin (H-M) and Schönflies (S) Equivalents |
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409 | (2) |
Further Reading |
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411 | (2) |
Index |
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413 | |