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Valency and Bonding

Valency and Bonding
A Natural Bond Orbital Donor-Acceptor Perspective


  • Date Published: July 2005
  • availability: Available
  • format: Hardback
  • isbn: 9780521831284

£ 152.00

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About the Authors
  • This graduate level text presents the first comprehensive overview of modern chemical valency and bonding theory, written by internationally recognised experts in the field. The authors build on the foundation of Lewis- and Pauling-like localized structural and hybridization concepts to present a book that is directly based on current ab-initio computational technology. The presentation is highly visual and intuitive throughout, based on the recognizable and transferable graphical forms of natural bond orbitals (NBOs) and their spatial overlaps in the molecular environment. The book shows applications to a broad range of molecular and supramolecular species of organic, inorganic and bioorganic interest. Hundreds of orbital illustrations help to convey the essence of modern NBO concepts for those with no extensive background in the mathematical machinery of the Schrödinger equation. This book will appeal to those studying chemical bonding in relation to chemistry, chemical engineering, biochemistry and physics.

    • Presents the first modernized overview of chemical valency and bonding theory
    • Authors are leaders in the field
    • Hundreds of examples for independent reader investigation using computational and analysis tools
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    Reviews & endorsements

    'The authors are clearly leaders in the field. … the book is well-written with vast numbers of illustrations as well as very useful worked examples. The impressive level of detail for individual systems can sometimes mask the underlying story, but salvation usually comes in the form of incisive summaries at the end of various major sections. This graduate-level book will be particularly useful to those who wish to understand NBO-based arguments presented in the literature and it is likely to be an invaluable resource for anyone who runs, or wishes to run, NBO analysis for themselves.' Chemistry World

    '… the authors present some of the most intuitive classical concepts of quantum chemistry in an updated and transparent fashion … The book also contains an interesting discussion of hydrogen-bonding, which may in particular be recommended to biochemists. … definitely requires a careful study … chapter after chapter. The reward will be a deep immersion into the world of modern chemical bonding theory, illustrated for a large number of model systems, and supplemented by carefully worked out examples. … recommended for students and researchers in solid-state physics and materials science.' ChemPhysChem

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    Product details

    • Date Published: July 2005
    • format: Hardback
    • isbn: 9780521831284
    • length: 760 pages
    • dimensions: 255 x 182 x 56 mm
    • weight: 1.612kg
    • contains: 326 b/w illus.
    • availability: Available
  • Table of Contents

    Part I. Introduction and Theoretical Background:
    1. The Schrödinger equation and models of chemistry
    2. Hydrogen atom orbitals
    3. Many-electron systems
    4. Perturbation theory for orbitals in the Hartree-Fock framework: the donor-acceptor paradigm
    5. Density matrices, natural localized and delocalized orbitals and the Lewis structure picture
    6. Natural resonance structures and weightings
    7. Pauli exchange antisymmetry and steric repulsions
    8. Summary
    Part II. Electrostatic and Ionic Bonding:
    9. Introduction
    10. Atomic and ionic orbitals
    11. Charge transfer and hybridization changes in ionic bonding
    12. Donor-acceptor theory of hybridization changes in ionic bonding
    13. Ionic/covalent transitions
    14. Ion-dipole and dipole-dipole bonding
    15. Beta ionic compounds of heavy alkaline earths
    16. Ionic bonding in D-block elements
    17. Summary
    Part III. Molecular Bonding in the S/P-Block Elements:
    18. Introduction
    19. Covalent and polar covalent bonding
    20. Conjugation and aromaticity
    21. Hyperconjugation
    22. Hypervalency
    23. Hypovalency
    24. Summary
    Part IV. Molecular Bonding in the D-Block Elements:
    25. Introduction
    26. Lewis-like structures for the D-block
    27. Hybridization and molecular shape
    28. Covalent and polar covalent bonding
    29. Coordinative metal-ligand bonding
    30. Hypervalent bonding
    31. Hypovalency and agostic interactions
    32. Conjugative and hyperconjugative effects
    33. Multi-electron coordination
    34. Vertical trends in transition metal bonding
    35. Summary
    Part V. Supramolecular Bonding:
    36. Introductory overview of intermolecular forces
    37. Hydrogen bonding
    38. Charge transfer complexes
    39. Transition state species
    40. Coupling of intra- and intermolecular interactions
    41. Summary

  • Authors

    Frank Weinhold, University of Wisconsin, Madison

    Clark R. Landis, University of Wisconsin, Madison

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