Electron Reorganization in Chemical Reactions. Bond Order Conservation vs Multicenter Bonding in the Course of Chemical Reactions

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Title:Electron Reorganization in Chemical Reactions. Bond Order Conservation vs Multicenter Bonding in the Course of Chemical Reactions
Creators:
Ponec, Robert
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 62, 12, pp. 1821-1831
Uncontrolled Keywords:Bond order conservation, Bond energy-bond order, Pair population analysis, Multicenter bonding, Transition states, Bond theory

Abstract

The conditions underlying the applicability of the empirical BEBO relationship were analyzed and discussed. It has been shown that the relationship holds for reactions in which the electron reorganization can satisfactorily be described by the classical structural theory as a simple shift of bonds. On the other hand, if the electron reorganization is more complex, the BEBO relationship is likely to fail. In these cases, the description of the structure of the transition state requires to invoke the concept of multicenter bonding.

Title:Electron Reorganization in Chemical Reactions. Bond Order Conservation vs Multicenter Bonding in the Course of Chemical Reactions
Creators:
Ponec, Robert
Uncontrolled Keywords:Bond order conservation, Bond energy-bond order, Pair population analysis, Multicenter bonding, Transition states, Bond theory
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:62
Number:12
Page Range:pp. 1821-1831
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19971821UNSPECIFIED
ID Code:1256
Item Type:Article
Deposited On:06 Feb 2009 17:08
Last Modified:06 Feb 2009 16:08

Citation

Ponec, Robert (1997) Electron Reorganization in Chemical Reactions. Bond Order Conservation vs Multicenter Bonding in the Course of Chemical Reactions. Collection of Czechoslovak Chemical Communications, 62 (12). pp. 1821-1831. ISSN 0010-0765

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