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On the Interpretation of Deuterium Kinetic Isotope Effects in CH Bond Functionalizations by Transition‐Metal Complexes
Author(s) -
Simmons Eric M.,
Hartwig John F.
Publication year - 2012
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201107334
Subject(s) - kinetic isotope effect , deuterium , chemistry , kinetic energy , isotope , interpretation (philosophy) , bond cleavage , computational chemistry , thermodynamics , organic chemistry , catalysis , atomic physics , nuclear physics , physics , computer science , quantum mechanics , programming language
Rate versus selectivity determining : The measurement of a kinetic isotope effect (KIE) can provide valuable information about the mechanism of a reaction, but care must be taken in the design and interpretation of KIE experiments. Depending on the experiment that is conducted, the observation of a primary KIE resulting from H/D substitution does not necessarily imply that CH bond cleavage occurs during the rate‐determining step of a reaction. FG=functional group.