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A Theoretical Aspect of the Formation and Breaking of Chemical Bonds in Reactions
Author(s) -
Fujimoto Hiroshi,
Fukui Kenichi
Publication year - 1980
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.198000039
Subject(s) - chemistry , delocalized electron , chemical reaction , chemical bond , chemical physics , polarization (electrochemistry) , computational chemistry , electron delocalization , nanotechnology , organic chemistry , materials science
A partitioning analysis of the electron reorganization in chemical reactions is presented. The mechanisms of the formation and breaking of chemical bonds, the rehybridization of the reaction sites and shift of electronic charges have been discussed in terms of the exchange, delocalization and polarization interactions. The specific roles of these interactions in causing the rearrangements of the constituent nuclei of the composite reacting system along a reaction pathway have been elucidated. The effective collaboration between the delocalization interaction and the polarization interaction has been suggested to be of key importance in promoting the progress of chemical reactions.