Theoretical study of the mechanism for the Markovnikov addition of imidazole to vinyl acetate catalyzed by the ionic liquid [bmIm]OH.

Abstract

By performing density functional theory calculations, we have studied the Markovnikov addition of imidazole to vinyl acetate catalyzed by 1-butyl-3-methylimidazolium hydroxide, [bmIm]OH, a novel basic ionic liquid. The purpose is to show the detailed reaction mechanism, to rationalize the experimental observations, and in particular to better understand the… (More)

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