Valence Bond Theory And Chemical Structure

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Valence Bond Theory And Chemical Structure

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Author : D. J. Klein
language : en
Publisher: Elsevier Publishing Company
Release Date : 1990

Valence Bond Theory And Chemical Structure written by D. J. Klein and has been published by Elsevier Publishing Company this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with Science categories.

For the last two or three decades molecular-orbital theory has been the main foundation of descriptions of molecular structure. In recent years, however, there has been a strong resurgence of interest in the older valence bond theory. In this timely book leading researchers describe valence bond theory and its applications to a wide range of chemical problems. The opening articles provide background materials and a historical perspective of the subject. These are followed by articles on recent computational methodology, discussions of recent novel ab initio calculations (as on benzene), descriptions for conceptual chemical bonding ideas as applied both to molecular structures and chemical reactions, and finally several applications involving condensed matter, including polymers, magnetic solids, metals and high-T c superconductors.

A Chemist S Guide To Valence Bond Theory

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Author : Sason S. Shaik
language : en
Publisher: John Wiley & Sons
Release Date : 2007-12-10

A Chemist S Guide To Valence Bond Theory written by Sason S. Shaik and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-12-10 with Science categories.

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

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Author : David Cooper
language : en
Publisher: Elsevier
Release Date : 2002-06-05

Valence Bond Theory written by David Cooper and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-06-05 with Science categories.

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.

Unified Valence Bond Theory Of Electronic Structure

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Author : N. D. Epiotis
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Unified Valence Bond Theory Of Electronic Structure written by N. D. Epiotis and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.

The bond diagrammatic representation of molecules is the foundation of MOVB theory. To a certain extent, this kind of representation is analogous to the one on which "resonance theory" is based and this fact can be projected by a comparison of the various ways in which MOVB theory depicts a species made up of three core and two ligand MO's which define two subsystems containing a total of six electrons and the ways in which "resonance theory" (i. e. , qualitative VB theory) depicts a six-electron-six-AO species such as the pi system of CH =CH-CH=CH-CH=O. The 2 different pictorial representations are shown in Scheme 1 so that the analogies are made evident. First of all, the total MOVB diagrammatic representation of the 6/5 species is obtained by a linear combination of three complete bond diagrams, as in Al, which describe the optimal linear combination of!l! MOVB Configuration Wavefunctions (CW's). By the same token, a total VB diagrammatic representation of the 6/6 species can be obtained by writing a "dot structure", as in Bl, and taking this to mean the optimal linear combination of all VB CW's. Next, we can approxi mate the MOVB wavefunction of the 6/5 species by one complete (or detailed) bond dia gram" (A2). No simple VB representation analogy can be given in this case. Alterna tively, we can approximate the MOVB wavefunction by a linear combination of compact bond diagrams, as in A3, in the way described before.

Unified Valence Bond Theory Of Electronic Structure

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Author : N. D. Epiotis
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Unified Valence Bond Theory Of Electronic Structure written by N. D. Epiotis and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.

Valence Bond Methods

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Author : Gordon A. Gallup
language : en
Publisher: Cambridge University Press
Release Date : 2002-07-11

Valence Bond Methods written by Gordon A. Gallup and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-07-11 with Science categories.

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Structure And Bonding

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Author : Jack Barrett
language : en
Publisher: Royal Society of Chemistry
Release Date : 2001

Structure And Bonding written by Jack Barrett and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with Education categories.

Structure and Bonding covers introductory atomic and molecular theory as given in first and second year undergraduate courses at university level. This book explains in non-mathematical terms where possible, the factors that govern covalent bond formation, the lengths and strengths of bonds and molecular shapes. Throughout the book, theoretical concepts and experimental evidence are integrated. An introductory chapter summarizes the principles on which the Periodic Table is established, and describes the periodicity of various atomic properties which are relevant to chemical bonding. Symmetry and group theory are introduced to serve as the basis of all molecular orbital treatments of molecules. This basis is then applied to a variety of covalent molecules with discussions of bond lengths and angles and hence molecular shapes. Extensive comparisons of valence bond theory and VSEPR theory with molecular orbital theory are included. Metallic bonding is related to electrical conduction and semi-conduction. The energetics of ionic bond formation and the transition from ionic to covalent bonding is also covered. Ideal for the needs of undergraduate chemistry students, Tutorial Chemistry Texts is a major series consisting of short, single topic or modular texts concentrating on the fundamental areas of chemistry taught in undergraduate science courses. Each book provides a concise account of the basic principles underlying a given subject, embodying an independent-learning philosophy and including worked examples.

Unified Valence Bond Theory Of Electronic Structure Applications

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Author : N. D. Epiotis
language : en
Publisher: Springer
Release Date : 1983

Unified Valence Bond Theory Of Electronic Structure Applications written by N. D. Epiotis and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1983 with Science categories.

Unified Valence Bond Theory Of Electronic Structure

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Author : N. D. Epiotis
language : en
Publisher: Springer
Release Date : 1982

Unified Valence Bond Theory Of Electronic Structure written by N. D. Epiotis and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1982 with Molecular orbitals categories.

Qualitative Valence Bond Descriptions Of Electron Rich Molecules Pauling 3 Electron Bonds And Increased Valence Theory

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Author : R. D. Harcourt
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Qualitative Valence Bond Descriptions Of Electron Rich Molecules Pauling 3 Electron Bonds And Increased Valence Theory written by R. D. Harcourt and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.

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.