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- W1973600768 abstract "Methodological aspects of the determination of 11 C/ 14 C kinetic isotope effects (KIEs) were investigated using the reaction of N, N-dimethyl-p-toluidine with labelled methyl iodide in methanol at 30°C as model system. The primary 11 C KIE was determined to be 1.202±0.008 for this reaction. The isotope effect was determined by a one-pot technique based on liquid chromatographic fractionation of the reactant and product followed by liquid scintillation counting of the 11 C and 14 C radioactivity in these fractions. The KIE value obtained agrees well with the value predicted from a previoulsy determined 12 C/ 14 C KIE for the same reaction. Theoretical model calculations of both carbon KIEs were performed using the BEBOVIB IV program. Transition-state models ranging from reactant- to product-like were employed in the calculations, and three different reaction coordinate models with more or less pronounced Walden inversion of the methyl hydrogens were investigated" @default.
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- W1973600768 date "1991-02-01" @default.
- W1973600768 modified "2023-09-27" @default.
- W1973600768 title "The11C/14C kinetic isotope effect method. The11C/14C kinetic isotope effect in the SN2 reaction ofN,N-dimethyl-p-toluidine with labelled methyl iodide" @default.
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- W1973600768 doi "https://doi.org/10.1002/poc.610040203" @default.
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