| 书目名称 | Unified Valence Bond Theory of Electronic Structure | | 副标题 | Applications | | 编辑 | Nicolaos Demetrios Epiotis | | 视频video | | | 丛书名称 | Lecture Notes in Chemistry | | 图书封面 |  | | 描述 | 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 | | 出版日期 | Textbook 1983 | | 关键词 | Applications; Isomer; Structure; aromatic; classification; electron; hybridization; inorganic chemistry; lit | | 版次 | 1 | | doi | https://doi.org/10.1007/978-3-642-93239-7 | | isbn_softcover | 978-3-540-12000-1 | | isbn_ebook | 978-3-642-93239-7Series ISSN 0342-4901 Series E-ISSN 2192-6603 | | issn_series | 0342-4901 | | copyright | Springer-Verlag Berlin Heidelberg 1983 |
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发表于 2025-3-21 18:53:09
