Models for Bonding in Chemistry Book

Preface.

1 Mathematical Foundations.

1.1 Matrices and Systems of Linear Equations.

1.2 Properties of Eigenvalues and Eigenvectors.

1.3 Variational Approximations.

1.4 The Atomic Units.

1.5 The Electron Distribution in Molecules.

1.6 Exchange-overlap Densities and The Chemical Bond.

PART 1: SHORT-RANGE INTERACTIONS.

2 The Chemical Bond.

2.1 An Elementary Molecular Orbital Model.

2.2 Bond Energies and Pauli Repulsions in Homonuclear Diatomics.

2.3 Multiple Bonds.

2.4 The Three-Centre Double Bond in Diborane.

2.5 The Heteropolar Bond.

2.6 Stereochemistry of Polyatomic Molecules.

2.7 sp-Hybridization Effects in First-Row Hydrides.

2.8 Delocalized Bonds.

2.9 Appendices.

3 An Introduction to Bonding in Solids.

3.1 The Linear Polyene Chain.

3.2 The Closed Polyene Chain.

3.3 A Model for the One-Dimensional Crystal.

3.4 Electronic Bands in Crystals.

3.5 Insulators, Conductors, Semiconductors, and Superconductors.

3.6 Appendix: The Trigonometric Identity.

PART 2: LONG-RANGE INTERACTIONS.

4 The van der Waals Bond.

4.1 Introduction.

4.2 Elements of Rayleigh-Schrödinger (RS) Perturbation Theory.

4.3 Molecular Interactions.

4.4 The Two-State Model of Long-Range Interactions.

4.5 The van der Waals Interactions.

4.6 The C₆ Dispersion Coefficient for the H–H Interaction.

4.7 The van der Waals Bond.

4.8 The Keesom Interaction.

5 The Hydrogen Bond.

5.1 A Molecular Orbital Model of the Hydrogen Bond.

5.2 Electrostatic Interactions and the Hydrogen Bond.

5.3 The Electrostatic Model of The Hydrogen Bond.

5.4 The Rg–HF Heterodimers.

References.

Author Index.

Subject Index.