Chemical Bonding and Molecular Geometry: From Lewis to Electron Densities

by Ronald J. Gillespie, Paul L. A. Popelier

Overview

Ideal for undergraduate and first-year graduate courses in chemical bonding, Chemical Bonding and Molecular Geometry: From Lewis to Electron Densities can also be used in inorganic chemistry courses. Authored by Ronald Gillespie, a world-class chemist and expert on chemical bonding, and Paul Popelier of the University of Manchester Institute of Science and Technology, this text provides students with a comprehensive and detailed introduction to the principal models and theories of chemical bonding and geometry. It also serves as a useful resource and an up-to-date introduction to modern developments in the field for instructors teaching chemical bonding at any level.

Features:
* Shows students how the concept of the chemical bond has developed from its earliest days, through Lewis's brilliant concept of the electron pair bond and up to the present day
* Presents a novel, non-traditional approach that emphasizes the importance of the Pauli principle as a basis for understanding bonding
* Begins with the fundamental classical concepts and proceeds through orbital models to recent ideas based on the analysis of electron densities, which help to clarify and emphasize many of the limitations of earlier models
* Provides a thorough and up-to-date treatment of the well-known valence-shell electron pair (VSEPR) model (which was first formulated and developed by author Ronald Gillespie) and the more recent ligand close-packing (LCP) model
* Presents a unique pictorial and nonmathematical discussion of the analysis of electron density distributions using the atoms in molecules (AIM) theory
* Emphasizes the relationships between these various models, giving examples of their uses, limitations, and comparative advantages and disadvantages

Product Details

ISBN-13:	9780195104967
Publisher:	Oxford University Press
Publication date:	03/08/2001
Series:	Topics in Inorganic Chemistry
Edition description:	New Edition
Pages:	288
Product dimensions:	9.20(w) x 6.50(h) x 0.53(d)

About the Author

McMaster University (Emeritus)

University of Manchester Institute of Science and Technology

Table of Contents

PrefaceAcknowledmentsChapter 1 The Chemical Bond: Classical Concepts and Theories1.1. Introduction1.2. Valence1.3. The Periodic Table of the Elements1.4. Structural Formulas1.5. Stereochemistry1.6. The Shell Model1.7. The Ionic Model of the Chemical Bond1.8. The Covalent Bond and Lewis Structures1.9. Polar Bonds and Electronegativty1.10. Polyatomic Anions and Formal Charges1.11. Oxidation Number (Oxidation State)1.12. Donor-Acceptor Bonds1.13. Exceptions to the Octet Rule: Hypervalent and Hypovalent Molecules1.14. Limitations of the Lewis ModelChapter 2 Bond Properties2.1. Introduction2.2. Bond Lengths and Covalent Radii2.3. Multiple Bonds and Bond Order2.4. Ionic Radii2.5. The Lengths of Polar Bonds2.6. Back-Bonding2.7. Bond Dissociation Energies and Bond Enthalpies2.8. Force Constants2.9. Dipole MomentsChapter 3 Some Basic Concepts of Quantum Mechanics3.1. Introduction3.2. Light, Quantization, and Probability3.3. The Early Quantum Model of the Atom3.4. The Wave Nature of Matter and the Uncertainty Principle3.5. The Schrödinger Equation and the Wave Function3.6. The Meaning of the Wave Function: Probability and Electron Density3.7. The Hydrogen Atom and Atomic Orbitals3.8. Electron Spin3.9. The Pauli Principle3.10. Multielectron Atoms and Electron Configurations3.11. Bonding Models3.12. Ab Initio Calculations3.13. PostscriptChapter 4 Molecular Geometry and the VSEPR Model4.1. Introduction4.2. The Distribution of Electrons in Valence Shells4.3. Electron Pair Domains4.4. Two, Three, Four, and Six Electron Pair Valence Shells4.5. Multiple Bonds4.6. Five Electron Pair Valence ShellsChapter 5 Ligand-Ligand Interactions and the Ligand Close-Packing (LCP) Model5.1. Introduction5.2. Ligand-Ligand Interactions5.3. The Ligand Close-Packing (LCP) Model5.4. Bond Lengths and Coordination Number5.5. Molecules with Two or More Different Ligands5.6. Bond Angles in Molecules with Lone Pairs5.7. Weakly Electronegative Ligands5.8. Ligand-Ligand Interactions in Molecules of the Elements in Periods 3-65.9. Polyatomic Ligands5.10. Comparison of the LCP and VSEPR ModelsChapter 6 The AIM Theory and the analysis of the electron density6.1. Introduction6.2. The Hellmann-Feynman Theorem6.3. Representing the Electron Density6.4. The Density Difference or Deformation Function6.5. The Electron Density from Experiment6.6. The Topology of the Electron Density6.7. Atomic Properties6.8. Bond Properties6.9. The Diatomic Hydrides of Periods 2 and 36.10. SummaryChapter 7 The Laplacian of the Electron Density7.1. Introduction7.2. The Laplacian of the Electron Density7.3. The Valence Shell Charge Concentration7.4. The Laplacian and the VSEPR Model7.5. Electron Pair Localization and the Lewis and VSEPR Models7.6. SummaryChapter 8 Molecules of the Elements of Period 28.1. Introduction8.2. The Relationship between Bond Properties and the AIM Theory8.3. The Nature of the Bonding in the Fluorides, Chlorides, and Hydrides of Li, Be, B, and C8.4. The Geometry of the Molecules of Be, B, and C8.5. Hydroxo and Related Molecules of Be, B, and C8.6. The Nature of the CO and Other Polar Multiple Bonds8.7. Bonding and Geometry of the Molecules of Nitrogen8.8. The Geometry of the Molecules of OxygenChapter 9 Molecules of the Elements of Period 3-69.1. Introduction9.2. Hypervalence9.3. Bonding in the Fluorides, Chlorides, and Hydrides with an LLP Coordination Number Up to Four9.4. Geometry of the Fluorides, Chlorides, and Hydrides with an LLP Coordination Number Up to Four9.5. Molecules with an LLP Coordination Number of Five9.6. Molecules with an LLP Coordination Number of Six9.7. Molecules with an LLP Coordination Number of Seven or Higher9.8. Molecules of the Transition MetalsIndexFormula Index