Deuterium kinetic isotope effects in gas-phase SN2 and E2 reactions: Comparison of experiment and theory

SM Villano, S Kato, VM Bierbaum

文献索引：Villano, Stephanie M.; Kato, Shuji; Bierbaum, Veronica M. Journal of the American Chemical Society, 2006 , vol. 128, # 3 p. 736 - 737

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被引用次数: 66

摘要

The competition between bimolecular nucleophilc substitution and base-induced elimination is investigated through kinetic isotope effect measurements for gas-phase reactions of RCl+ ClO-(R= methyl, ethyl, isopropyl, and tert-butyl) utilizing a FA-SIFT instrument. The overall reaction rate constants and the kinetic isotope effect for the reaction of C2H5Cl+ ClO-are compared to computational results.[Hu, WP; Truhlar, DGJ Am. Chem. Soc. 1996, 118, 860. ...