Unified Valence Bond Theory of Electronic Structure is popular PDF and ePub book, written by N. D. Epiotis in 2012-12-06, it is a fantastic choice for those who relish reading online the Science genre. Let's immerse ourselves in this engaging Science book by exploring the summary and details provided below. Remember, Unified Valence Bond Theory of Electronic Structure can be Read Online from any device for your convenience.
Unified Valence Bond Theory of Electronic Structure Book PDF Summary
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.
Detail Book of Unified Valence Bond Theory of Electronic Structure PDF
- Author : N. D. Epiotis
- Release : 06 December 2012
- Publisher : Springer Science & Business Media
- ISBN : 9783642932397
- Genre : Science
- Total Page : 598 pages
- Language : English
- PDF File Size : 17,7 Mb
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