A Theoretical Aspect of the Formation and Breaking of Chemical Bonds in Reactions

Abstract 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.