Qualitative Valence-Bond Descriptions of Electron-Rich Molecules: Pauling “3-Electron Bonds” and “Increased-Valence” Theory

Qualitative Valence-Bond Descriptions of Electron-Rich Molecules: Pauling “3-Electron Bonds” and “Increased-Valence” Theory
Author: R. D. Harcourt
Publisher: Springer Science & Business Media
Total Pages: 275
Release: 2012-12-06
Genre: Science
ISBN: 3642932169

This book provides qualitative molecular orbital and valence-bond descriptions of the electronic structures for electron-rich molecules, with strong emphasis given to the valence-bond approach. Electron-rich molecules form an extremely large class of molecules, and the results of quantum mechanical studies from different laboratories indicate that qualitative valence-bond descriptions for many of these molecules are incomplete in so far as they usually omit "long-bond" Lewis structures from elementary descriptions of bonding. For example, the usual representation for the electronic structure of the ground-state for 03 involves resonance between the (+1 o and Until standard Lewis structures ~ ~ (-I . b:'" ~d· . . . . , recently, any contribution to resonance of the "long-bond" (or spin-paired o •• / •• ,. . has been largely ignored. diradica~ Lewis structure However, it :0 . 0. . e-. . . . . ______ " has now been calculated to be a very important structure. For the ground-states of numerous other systems, calculations also indicate that "long-bond" structures are more important than is usually supposed, and therefore they should frequently be included in qualitative valence-bond descriptions of electronic structure. The book describes how this may be done, and some of the resulting consequences for the interpretation of the electronic structure, bond properties and reactivities of various electron-rich molecules. When appropriate, molecular orbital and valence bond descriptions of bonding are compared, and relationships that exist between them are derived.

Comprehensive Coordination Chemistry II

Comprehensive Coordination Chemistry II
Author: J. A. McCleverty
Publisher: Newnes
Total Pages: 11845
Release: 2003-12-03
Genre: Science
ISBN: 0080913164

Comprehensive Coordination Chemistry II (CCC II) is the sequel to what has become a classic in the field, Comprehensive Coordination Chemistry, published in 1987. CCC II builds on the first and surveys new developments authoritatively in over 200 newly comissioned chapters, with an emphasis on current trends in biology, materials science and other areas of contemporary scientific interest.

Valence-bond Theory of Compounds of Transition Metals

Valence-bond Theory of Compounds of Transition Metals
Author: Linus Pauling
Publisher:
Total Pages: 3
Release: 1975
Genre: Chemical bonds
ISBN:

An equation relating the strength (bond-forming power) of an spd hybrid bond orbital to the angles it makes with other bond orbitals is formulated and applied in the discussion of the structures of transition-metal carbonyls and other substances by the valence-bond method. The rather simple theory gives results that agree well with those obtained by the complicated and laborious calculation of sets of orthogonal hybrid bond orbitals with maximum strength.

Valency and Bonding

Valency and Bonding
Author: Frank Weinhold
Publisher: Cambridge University Press
Total Pages: 768
Release: 2005-06-17
Genre: Science
ISBN: 9780521831284

The first modernized overview of chemical valency and bonding theory, based on current computational technology.

A Chemist's Guide to Valence Bond Theory

A Chemist's Guide to Valence Bond Theory
Author: Sason S. Shaik
Publisher: John Wiley & Sons
Total Pages: 332
Release: 2007-12-10
Genre: Science
ISBN: 0470192585

This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.

Valence Bond Theory

Valence Bond Theory
Author: David Cooper
Publisher: Elsevier
Total Pages: 837
Release: 2002-06-05
Genre: Science
ISBN: 0080543499

Valence bond (VB) theory, which builds the descriptions of molecules from those of its constituent parts, provided the first successful quantum mechanical treatments of chemical bonding. Its language and concepts permeate much of chemistry, at all levels. Various modern formulations of VB theory represent serious tools for quantum chemical studies of molecular electronic structure and reactivity. In physics, there is much VB-based work (particularly in semi-empirical form) on larger systems. Importance of TopicThe last decade has seen significant advances in methodology and a vast increase in the range of applications, with many new researchers entering the field.Why This TitleValence Bond Theory succeeds in presenting a comprehensive selection of contributions from leading valence bond (VB) theory researchers throughout the world. It focuses on the vast increase in the range of applications of methodology based on VB theory during the last decade and especially emphasizes recent advances.