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Bücher Wissen & Bildung Englische Bücher Naturwissenschaft, Medizin, Informatik, Technik Chemie Theoretische Chemie Unified Valence Bond Theory of Electronic Structure
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Beschreibung
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. 53,49 €
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Technische Daten
Erscheinungsdatum
01.03.1983
Sprache
Englisch
EAN
9783540120001
Herausgeber
Springer Berlin
Serien- oder Bandtitel
Lecture Notes in Chemistry
Sonderedition
Nein
Autor
N. D. Epiotis
Seitenanzahl
589
Einbandart
Broschiert
Buch Untertitel
Applications
Schlagwörter
Applications, Isomer, Structure, aromatic, classification, electron, hybridization, inorganic chemistry, lithium, molecule, organic chemistry, polarization, spin, stereochemistry, system
Thema-Inhalt
PNRP - Quanten- und theoretische Chemie
Höhe
244 mm
Breite
17 cm
Transparenz & Sicherheit
Hersteller: Springer, Europaplatz 3, Heidelberg, Deutschland, 69115, ProductSafety@springernature.com, Springer Nature Customer Service Center GmbH
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