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Reaction branching as a mechanistic alternative to tunneling in explaining anomalous temperature‐dependencies of kinetic isotope effects
Author(s) -
Thibblin Alf
Publication year - 1988
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610010306
Subject(s) - kinetic isotope effect , chemistry , branching (polymer chemistry) , kinetic energy , arrhenius equation , isotope , chemical reaction kinetics , thermodynamics , chemical physics , computational chemistry , kinetics , chemical kinetics , deuterium , organic chemistry , activation energy , nuclear physics , physics , quantum mechanics
The temperature‐dependence of the kinetic isotope effects for branched reactions proceeding via a common intermediate has been simulated by calculations. It is shown that, under certain conditions, anomalously small isotope effects on the Arrhenius preexponential factors, as well as unusually large observed isotope effects, may originate from the branching.