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9780470669754

Models for Bonding in Chemistry

by
  • ISBN13:

    9780470669754

  • ISBN10:

    0470669756

  • Format: eBook
  • Copyright: 2010-08-01
  • Publisher: Wiley
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Summary

Even if modern molecular quantum mechanics offers the natural basis for very elaborate numerical calculations, models of bonding that avoid the more mathematical aspects of the subject, in the spirit of Coulson’s Valence, are still of interest for stating elementary concepts of valence for atoms, molecules and their interactions.

Distinctive features of this book include:

    *Models of bonding in molecules that mostly require the solution of quadratic equations with real roots. *An introductory model of bonding in solids. *A model of long-range Van der Waal’s interactions that avoid use of perturbation theory. *A simple pictorial model of the electrostatic interactions that determine the shape of H-bonded dimers. *Consistent use of atomic units from the very beginning for simplifying mathematical formulae. *A comprehensive list of references and both author and subject indices.

    The book covers, in a readable manner with minimal use of mathematics, the essentials of the different bonds occurring in chemistry. Intended for undergraduate students in chemical physics, physical, theoretical and quantum chemistry, it is also relevant to masters and postgraduate students and to any scientist or student who requires a straightforward approach to bonding in molecules and solids.

Table of Contents

Preface
Mathematical Foundations
Matrices and Systems of Linear Equations
Properties of Eigenvalues and Eigenvectors
Variational Approximations
The Atomic Units
The Electron Distribution in Molecules
Exchange-Overlap Densities and The Chemical Bond
Short-Range Interactions
The Chemical Bond
An Elementary Molecular Orbital Model
Bond Energies and Pauli Repulsions in Homonuclear Diatomics
Multiple Bonds
The Three-Centre Double Bond in Diborane
The Heteropolar Bond
Stereochemistry of Polyatomic Molecules
sp-Hybridization Effects in First-Row Hydrides
Delocalized Bonds
Appendices
An Introduction to Bonding in Solids
The Linear Polyene Chain
The Closed Polyene Chain
A Model for the One-Dimensional Crystal
Electronic Bands in Crystals
Insulators, Conductors, Semiconductors, and Superconductors
Appendix: The Trigonometric Identity
Long-Range Interactions
The Van der Waals (VdW) Bond
Introduction
Elements of Rayleigh-Schroedinger (RS) Perturbation Theory
Molecular Interactions
The Two-State Model of Long-Range Interactions
The Van der Waals Interactions
The C6 Dispersion Coefficient for the H-H Interaction
The Van der Waals Bond
The Keesom Interaction
The Hydrogen Bond
A Molecular Orbital Model of The Hydrogen Bond
Electrostatic Interactions and The Hydrogen Bond
The Electrostatic Model of The Hydrogen Bond
The Rg-HF Heterodimers
References
Author Index
Subject Index
Table of Contents provided by Publisher. All Rights Reserved.

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