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Chemical Bonding and Molecular Geometry

From Lewis to Electron Densities

Ronald J. Gillespie and Paul L. A. Popelier

Publication Date - 08 March 2001

ISBN: 9780195104967

288 pages
6-1/2 x 9-1/4 inches


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.

* 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

Table of Contents

    Chapter 1 The Chemical Bond: Classical Concepts and Theories
    1.1. Introduction
    1.2. Valence
    1.3. The Periodic Table of the Elements
    1.4. Structural Formulas
    1.5. Stereochemistry
    1.6. The Shell Model
    1.7. The Ionic Model of the Chemical Bond
    1.8. The Covalent Bond and Lewis Structures
    1.9. Polar Bonds and Electronegativty
    1.10. Polyatomic Anions and Formal Charges
    1.11. Oxidation Number (Oxidation State)
    1.12. Donor-Acceptor Bonds
    1.13. Exceptions to the Octet Rule: Hypervalent and Hypovalent Molecules
    1.14. Limitations of the Lewis Model
    Chapter 2 Bond Properties
    2.1. Introduction
    2.2. Bond Lengths and Covalent Radii
    2.3. Multiple Bonds and Bond Order
    2.4. Ionic Radii
    2.5. The Lengths of Polar Bonds
    2.6. Back-Bonding
    2.7. Bond Dissociation Energies and Bond Enthalpies
    2.8. Force Constants
    2.9. Dipole Moments
    Chapter 3 Some Basic Concepts of Quantum Mechanics
    3.1. Introduction
    3.2. Light, Quantization, and Probability
    3.3. The Early Quantum Model of the Atom
    3.4. The Wave Nature of Matter and the Uncertainty Principle
    3.5. The Schrödinger Equation and the Wave Function
    3.6. The Meaning of the Wave Function: Probability and Electron Density
    3.7. The Hydrogen Atom and Atomic Orbitals
    3.8. Electron Spin
    3.9. The Pauli Principle
    3.10. Multielectron Atoms and Electron Configurations
    3.11. Bonding Models
    3.12. Ab Initio Calculations
    3.13. Postscript
    Chapter 4 Molecular Geometry and the VSEPR Model
    4.1. Introduction
    4.2. The Distribution of Electrons in Valence Shells
    4.3. Electron Pair Domains
    4.4. Two, Three, Four, and Six Electron Pair Valence Shells
    4.5. Multiple Bonds
    4.6. Five Electron Pair Valence Shells
    Chapter 5 Ligand-Ligand Interactions and the Ligand Close-Packing (LCP) Model
    5.1. Introduction
    5.2. Ligand-Ligand Interactions
    5.3. The Ligand Close-Packing (LCP) Model
    5.4. Bond Lengths and Coordination Number
    5.5. Molecules with Two or More Different Ligands
    5.6. Bond Angles in Molecules with Lone Pairs
    5.7. Weakly Electronegative Ligands
    5.8. Ligand-Ligand Interactions in Molecules of the Elements in Periods 3-6
    5.9. Polyatomic Ligands
    5.10. Comparison of the LCP and VSEPR Models
    Chapter 6 The AIM Theory and the analysis of the electron density
    6.1. Introduction
    6.2. The Hellmann-Feynman Theorem
    6.3. Representing the Electron Density
    6.4. The Density Difference or Deformation Function
    6.5. The Electron Density from Experiment
    6.6. The Topology of the Electron Density
    6.7. Atomic Properties
    6.8. Bond Properties
    6.9. The Diatomic Hydrides of Periods 2 and 3
    6.10. Summary
    Chapter 7 The Laplacian of the Electron Density
    7.1. Introduction
    7.2. The Laplacian of the Electron Density
    7.3. The Valence Shell Charge Concentration
    7.4. The Laplacian and the VSEPR Model
    7.5. Electron Pair Localization and the Lewis and VSEPR Models
    7.6. Summary
    Chapter 8 Molecules of the Elements of Period 2
    8.1. Introduction
    8.2. The Relationship between Bond Properties and the AIM Theory
    8.3. The Nature of the Bonding in the Fluorides, Chlorides, and Hydrides of Li, Be, B, and C
    8.4. The Geometry of the Molecules of Be, B, and C
    8.5. Hydroxo and Related Molecules of Be, B, and C
    8.6. The Nature of the CO and Other Polar Multiple Bonds
    8.7. Bonding and Geometry of the Molecules of Nitrogen
    8.8. The Geometry of the Molecules of Oxygen
    Chapter 9 Molecules of the Elements of Period 3-6
    9.1. Introduction
    9.2. Hypervalence
    9.3. Bonding in the Fluorides, Chlorides, and Hydrides with an LLP Coordination Number Up to Four
    9.4. Geometry of the Fluorides, Chlorides, and Hydrides with an LLP Coordination Number Up to Four
    9.5. Molecules with an LLP Coordination Number of Five
    9.6. Molecules with an LLP Coordination Number of Six
    9.7. Molecules with an LLP Coordination Number of Seven or Higher
    9.8. Molecules of the Transition Metals
    Formula Index

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