Lecture Notes in Chemistry Lect.Notes Chemistry Epiotis,N.D.:Unified Val.B.(closed)

Unified Valence Bond Theory of Electronic Structure

Applications

Authors: Epiotis, N. D.

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About this Textbook

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.

Table of contents (23 chapters)

Table of contents (23 chapters)

Buy this book

eBook n/a
  • ISBN 978-3-642-93239-7
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
Softcover n/a
  • ISBN 978-3-540-12000-1
  • Free shipping for individuals worldwide
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Bibliographic Information

Bibliographic Information
Book Title
Unified Valence Bond Theory of Electronic Structure
Book Subtitle
Applications
Authors
Series Title
Lecture Notes in Chemistry
Series Volume
34
Copyright
1983
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-642-93239-7
DOI
10.1007/978-3-642-93239-7
Softcover ISBN
978-3-540-12000-1
Series ISSN
0342-4901
Edition Number
1
Number of Pages
VIII, 589
Topics