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Springer
Unified Valence Bond Theory of Electronic Structure : Applications
557ر.س.
شامل ضريبة القيمة المضافة
33ر.س.شهرياً/24 شهر
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كتاب مطبوع
سيتم إرسال الطلب الى عنوانك
557ر.س.
شامل الضريبة
استبدال أسهل
تسوّق آمن
أصلي ومضمون
توصيل سريع
أو
عن المنتج
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 MOs 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 (CWs). 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 CWs. 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.
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