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Determining transition state structure using kinetic isotope effects

โœ Scribed by Kenneth C. Westaway


Publisher
John Wiley and Sons
Year
2007
Tongue
French
Weight
358 KB
Volume
50
Category
Article
ISSN
0022-2135

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โœฆ Synopsis


Abstract

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 primaryโ€leaving groupโ€, nucleophileโ€, and ฮฑโ€carbon KIEs and secondary alphaโ€ and betaโ€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 ยฉ 2007 John Wiley & Sons, Ltd.


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Transition state structure and isotope e
โœ Vincenzo Barone; Nadia Bianchi; Francesco Lelj ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 342 KB

l unimolecul-ar hydrogen eliminations from carbocations are currently interpreted in terms of a concerted mechanii in which two C-H bonds are synchronously stretched. Here we show, through MNDO and RR-1 computations, that the available experimental data are compatible with all the reaction mechanism