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Unified Valence Bond Theory of Electronic Structure: Applications - Lecture Notes in Chemistry 34 (Paperback)
  • Unified Valence Bond Theory of Electronic Structure: Applications - Lecture Notes in Chemistry 34 (Paperback)
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Unified Valence Bond Theory of Electronic Structure: Applications - Lecture Notes in Chemistry 34 (Paperback)

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£81.00
Paperback 589 Pages / Published: 01/03/1983
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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.

Publisher: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
ISBN: 9783540120001
Number of pages: 589
Weight: 1019 g
Dimensions: 244 x 170 x 30 mm
Edition: Softcover reprint of the original 1st ed. 198

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