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Journal of Structural Chemistry

2011 year, number 4

INTERACTION OF METHANOL, METHANTHIOL, AND ACETOXIME WITH POTASSIUM AND RUBIDIUM HYDROXIDES IN DIMETHYL SULFOXIDE

N. M. Vitkovskaya, E. Y. Larionova, N. V. Kaempf, V. B. Kobychev, A. D. Skitnevskaya, V. B. Orel, B. A. Trofimov
Keywords: methanol, methanthiol, acetoxime, alkali metal hydroxide, vinylation, reaction mechanisms, quantum chemical calculations
Pages: 681-685

Abstract

An ab initio quantum chemical study of the reaction profiles of the nucleophile particle formation in the interaction of methanol, methanthiol, and acetoxime with an undissociated molecule of alkali metal hydroxide is performed for the gas phase and also with the explicit inclusion of a dimethyl sulfoxide molecule into the calculation and with allowance made for solvation effects within the continuum model.