Premium
The kinetics of nucleophilic substitution processes in the alkyl halides. Part A—theory
Author(s) -
German E. D.,
Dogonadze R. R.
Publication year - 1974
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550060402
Subject(s) - chemistry , halide , alkyl , kinetics , activation energy , polarization (electrochemistry) , intermolecular force , polar , computational chemistry , solvent effects , nucleophilic substitution , solvent , nucleophile , transition state , substitution reaction , quantum , transmission coefficient , thermodynamics , organic chemistry , molecule , transmission (telecommunications) , catalysis , classical mechanics , quantum mechanics , electrical engineering , physics , engineering
Activation energies for substitution reactions of the type AC + B → A + CB, occurring in polar media and characterized by an abrupt change of the term along two coordinates have been calculated within the framework of the quantum‐mechanical theory of chemical reactions. In the case of nonadiabatic processes, the transmission coefficient and activation energy for these reactions are expressed in terms of characteristic parameters of the medium (reorganization energy, effective frequency of solvent fluctuation polarization) and the potential energy curves for intermolecular interactions between the reactants (AC and B) and between the products (A and BC).