Experimental and theoretical studies of nonadditivity of multiple isotopic substitution on equilibria

M Saunders, GW Cline

文献索引：Saunders, Martin; Cline, Gary W. Journal of the American Chemical Society, 1990 , vol. 112, # 10 p. 3955 - 3963

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被引用次数: 15

摘要

Abstract: From” C NMR spectra of mixtures of a multiply deuterium and I3C substituted 2, 3- dimethyl-2-butyl cation in SbF,/SO2CIF, the relative equilibrium isotope effects on the degenerate 1, 2 hydride shifts were measured with very high accuracy over a range of temperatures. These isotope effects were calculated theoretically first with ab initio quantum mechanical methods to obtain the structure and the Cartesian force constant matrix and ...