Encyclopedia of Reagents for Organic Synthesis

Encyclopedia of Reagents for Organic Synthesis

freeduan2@56.com

Chemical Bonding and Molecular Geometry

【名称】:Chemical Bonding and Molecular Geometry
【简介】:
ISBN: 019510496X
Title: Chemical Bonding and Molecular Geometry : From Lewis to Electron Densities (Topics in Inorganic Chemistry)
Author: Ronald J. Gillespie Paul L. A. Popelier
Publisher: Oxford University Press, USA
Publication Date: 2001-03-08
Number Of Pages: 288


Preface xi
Acknowledgments xiii
Chapter I The Chemical Bond: Classical Concepts and Theories 1
Introduction 1
Valence 1
The Periodic Table of the Elements 2
Structural Formulas 3
Stereochemistry 5
The Shell Model 6
The Ionic Model of the Chemical Bond 8
The Covalent Bond and Lewis Structures 9
Polar Bonds and Electronegativity 14
Polyatomic Anions and Fonnal Charges 17
Oxidation Number (Oxidation State) 18
Donor-Acceptor Bonds 19
Exceptions to the Octet Rule: Hypemalent and Hypovalent Molecules 20
Limitations of the Lewis Model 23
Chapter 2 Bond Properties 25
Introduction 25
Bond Lengths and Covalent Radii 27
Multiple Bonds and Bond Order 30
Ionic Radii 33
The Lengths of Polar Bonds 37
Back-Bonding 38
Bond Dissociation Energies and Bond Enthalpies 39
Force Constants 42
Dipole Moments 43
viii . Contents
Chapter 3 Some Basic Concepts of Quantum Mechanics 49
Introduction 49
Light, Quantization, and Probability 50
The Early Quantum Model of the Atom 5 1
The Wave Nature of Matter and the Uncertainty Principle 53
The Schrodinger equation and the Wave Function 53
The Meaning of the Wave Function: Probability and Electron Density 57
The Hydrogen Atom and Atomic Orbitals 58
Electron Spin 64
The Pauli Principle 64
Multielectron Atoms and Electron Configurations 69
Bonding Models 71
Ab Initio Calculations 79
Postscript 8 1
Chapter 4 Molecular Geometry and the VSEPR Model 84
4.1 Introduction 84
4.2 The Distribution of Electrons in Valence Shells 85
4.3 Electron Pair Domains 88
4.4 Two, Three, Four, and Six Electron Pair Valence Shells 95
4.5 Multiple Bonds 99
4.6 Five Electron Pair Valence Shells 106
4.7 Limitations and Exceptions 110
Chapter 5 Ligand-Ligand Interactions and the Ligand Close-Packing (LCP) Model 113
5.1 Introduction 1 13
5.2 Ligand-Ligand Interactions 1 16
5.3 The Ligand Close-Packing (LCP) Model 119
5.4 Bond Lengths and Coordination Number 122
5.5 Molecules with Two or More Different Ligands 124
5.6 Bond Angles in Molecules with Lone Pairs 126
5.7 Weakly Electronegative Ligands 128
5.8 Ligand-Ligand Interactions in Molecules of the Elements in Periods 3-6 130
5.9 Polyatomic Ligands 130
5.10 Comparison of the LCP and VSEPR Models 132
Chapter 6 The AIM Theory and the Analysis of the Electron Density 134
6.1 Introduction 134
6.2 The Hellmann-Feynman Theorem 134
6.3 Representing the Electron Density 136
6.4 The Density Difference or Deformation Function 139