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Electron Distributions and the Chemical Bond

  • Book
  • © 1982

Overview

Editors:
  1. Philip Coppens

    1. State University of New York, Buffalo, USA

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    You can also search for this editor in PubMed   Google Scholar

  2. Michael B. Hall

    1. Texas A & M University, College Station, USA

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    You can also search for this editor in PubMed   Google Scholar

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Table of contents (21 chapters)

  1. Front Matter

    Pages i-ix
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  2. Introduction

    1. Front Matter

      Pages 1-1
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    2. Concepts of Charge Density Analysis: The Theoretical Approach

      • Vedene H. Smith Jr.
      Pages 3-59

    3. Concepts of Charge Density Analysis: The Experimental Approach

      • Philip Coppens
      Pages 61-92

  3. Theoretical Considerations

    1. Front Matter

      Pages 93-93
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    2. Density Functional Theory

      • Robert G. Parr
      Pages 95-100

    3. Quantum Model of the Coherent Diffraction Experiment: Recent Generalizations and Applications

      • C. A. Frishberg, M. J. Goldberg, L. J. Massa
      Pages 101-110

    4. The Influence of Relativity on Molecular Properties: A Review of the Relativistic Hartree-Fock-Slater Method

      • J. G. Snijders, E. J. Baerends
      Pages 111-130

  4. Extended Solids: Theoretical and Experimental Results

    1. Front Matter

      Pages 131-131
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    2. Theoretical Determination of Electronic Charge Densities in Covalently Bonded Semiconductors

      • C. S. Wang, B. M. Klein
      Pages 133-151

    3. Fermi Gas Approach to X-Ray Scattering by Metallic Solids

      • Pierre Becker
      Pages 153-172

    4. Theoretical and Experimental Charge Distributions in Euclase and Stishovite

      • J. W. Downs, R. J. Hill, M. D. Newton, J. A. Tossell, G. V. Gibbs
      Pages 173-189

    5. Electron Deformation Density in Calcium Beryllide

      • D. M. Collins, M. C. Mahar
      Pages 191-202

  5. Molecular Solids: Theoretical Results

    1. Front Matter

      Pages 203-203
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    2. Computation and Interpretation of Electron Distributions in Inorganic Molecules

      • Michael B. Hall
      Pages 205-220

    3. Electron Deformation Density Distributions in Binuclear Complexes of Transition Metals : Computation and Interpretation from AB Initio Molecular Orbital Wavefunctions

      • Marc Bénard
      Pages 221-253

    4. Experimental versus Theoretical Electron Densities: Methods and Errors

      • Martin Breitenstein, Helmut Dannöhl, Hermann Meyer, Armin Schweig, Werner Zittlau
      Pages 255-281

  6. Molecular Solids: Experimental Results

    1. Front Matter

      Pages 283-283
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    2. Experimental Observation of Tellurium Lone-Pair and Molybdenum-Molybdenum Triple and Quadruple Bond Densities

      • J. M. Troup, M. W. Extine, R. F. Ziolo
      Pages 285-296

    3. Deformation Density Determination (X-X, X-N) of Organometallic Compounds

      • Richard Goddard, Carl Krüger
      Pages 297-330
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Keywords

About this book

This book represents the proceedings of a symposium held at the Spring 1981 ACS meeting in Atlanta. The symposium brought together Theoretical Chemists, Solid State Physicists, Experimen­ tal Chemists and Crystallographers. One of its major aims was to increase interaction between these diverse groups which often use very different languages to describe similar concepts. The devel­ opment of a common language, or at least the acquisition of a multilingual capability, is a necessity if the field is to prosper. Much depends in this field on the interplay between theory and experiment. Accordingly this volume begins with two introduc­ tory chapters, one theoretical and the other experimental, which contain much of the background material needed for a through under­ standing of the field. The remaining sections describe a wide variety of applications and illustrate, we believe, the central role of charge densities in the understanding of chemical bonding. We are most indebted to the Divisions of Inorganic and Phy­ sical Chemistry of the American Chemical Society, which provided the stimulus for the symposium and gave generous financial support. We also gratefully acknowledge financial support from the Special Educational Opportunities Program of the Petroleum Research Fund administered by the American Chemical Society, which made exten­ sive participation by speakers from abroad possible.

Editors and Affiliations

  • State University of New York, Buffalo, USA

    Philip Coppens

  • Texas A & M University, College Station, USA

    Michael B. Hall

Bibliographic Information

  • Book Title: Electron Distributions and the Chemical Bond

  • Editors: Philip Coppens, Michael B. Hall

  • DOI: https://doi.org/10.1007/978-1-4613-3467-5

  • Publisher: Springer New York, NY

  • eBook Packages: Springer Book Archive

  • Copyright Information: Plenum Press, New York 1982

  • Hardcover ISBN: 978-0-306-41000-0Due: 01 August 1982

  • Softcover ISBN: 978-1-4613-3469-9Published: 05 November 2011

  • eBook ISBN: 978-1-4613-3467-5Published: 06 December 2012

  • Edition Number: 1

  • Number of Pages: 479

  • Topics: Physical Chemistry

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