MOLECULAR STRUCTURE & ENERGETICS V 1 - CHEMICAL BONDING MODELS

Molecular Structure and Energetics Volume 1 Edited by Joel F. Liebman Arthur Greenberg This series has as its theme two of the most widespread, fundamental and important concepts in chemistry: molecular structure and energetics. The scope of the series ranges from species as elegantly simple as elemental boron and carbon to those as ill-defined, yet important, as atmospheric particulates; from rearrangements in clusters to the strain and aromaticity of organic molecules; from the energies of protonation of atoms and diatomic molecules to the binding of substrates to natural and synthetic enzymes. Each volume consists of chapters by leading specialists, and is focused on a common theme. Each essay provides a tutorial review which is generally in a form that blends theory and experiment as well as rigor and intuition. Volume 1, Chemical Bonding Molecules, examines nine topics in the fundamental, conceptual and theoretical framework of molecular structure and energetics. All the essays explicitly compare and interweave findings from experiment and from both calculational and qualitative theory.

Foreword

Preface

1. The Nature of the Chemical Bond Fifty Years Later: The Relative Electronegativity of Atoms Seen in Perspective

Linus Pauling and Zelek S. Herman, Linus Pauling Institute of Science and Medicine, Palo Alto, California

2. Isoelectronic Molecules

Henry A. Bent, North Carolina State University, Raleigh, North Carolina

3. Carbenes: A Study in Quantitative and Qualitative Theory

Joel F. Liebman, University of Maryland Baltimore County, Catonsville, Maryland and Jack Simons, University of Utah, Salt Lake City, Utah

4. Theoretical Studies of Multiple Bonding to Silicon

Mark S. Gordon, North Dakota State University, Fargo, North Dakota

5. Topological Relationships in Molecular Structures and Energetics

Robert Bruce King, University of Georgia, Athens, Georgia

6. Boranes and Heteroboranes

Thomas P. Fehlner and Catherine E. Housecroft, University of Notre Dame, Notre Dame, Indiana

7. Structural-Electronic Relationships in the Solid State

Jeremy K. Burdett, The University of Chicago, Chicago, Illinois

8. A Detailed Derivation of the Schr?dinger Equation

Lawrence J. Schaad and B. Andes Hess, Jr., Vanderbilt University, Nashville, Tennessee

9. Quantum Chemical Reaction Enthalpies

Janet E. Del Bene, Youngstown State University, Youngstown, Ohio

Appendix: Basis Set and Method Notation

General Index