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Determining transition state structure using kinetic isotope effects
Author(s) -
Westaway Kenneth C.
Publication year - 2007
Publication title -
journal of labelled compounds and radiopharmaceuticals
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.432
H-Index - 47
eISSN - 1099-1344
pISSN - 0362-4803
DOI - 10.1002/jlcr.1434
Subject(s) - chemistry , kinetic isotope effect , deuterium , transition state , kinetic energy , computational chemistry , nucleophile , organic chemistry , catalysis , nuclear physics , physics , quantum mechanics
Kinetic isotope effects (KIEs) have been found to be the most powerful tool available to physical organic chemists for determining the mechanism of reactions and for estimating the structure of their transition states. Various types of KIEs including primary‐leaving group‐, nucleophile‐, and α‐carbon KIEs and secondary alpha‐ and beta‐deuterium KIEs are introduced. The factors that affect the magnitude of each of these KIEs are covered in some detail. Finally, the use of these KIEs to determine the mechanism of a reaction and to estimate the structure of the transition state for a reaction is discussed. Copyright © 2007 John Wiley & Sons, Ltd.