Premium
From energy profiles to structure–reactivity correlations
Author(s) -
Agmon N.
Publication year - 1981
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.550130403
Subject(s) - chemistry , reactivity (psychology) , basis (linear algebra) , computational chemistry , statistical physics , field (mathematics) , function (biology) , current (fluid) , energy (signal processing) , chemical physics , thermodynamics , physics , geometry , medicine , mathematics , alternative medicine , pathology , pure mathematics , quantum mechanics , evolutionary biology , biology
Models for the energy profile along the reaction coordinate are utilized to determine the barrier's height and location as a function of Δ G . These form the basis for structure–reactivity correlations and afford a unified formulation for various postulates in the field of physical organic chemistry. Current experimental evidence is examined for the resulting correlations, and some of their applications as an aid to the chemical kineticist are presented.