Theoretical studies of cycloaddition reactions involving C − C triple bonds

Abstract

Recent theoretical studies of [m + n], m = 2, 3, and 4, cycloaddition reactions involving acetylene derivatives, n = 2, have been recompiled in this review. They include Diels–Alder and [3 + 2] cycloaddition reactions. The role of polar solvents and Lewis acid catalysts in these [m + 2] cycloaddition reactions are analysed. The studies carefully selected for this review attempt to provide an overview of the main approaches used to study the reactivity of C − C triple bonds as the n = 2 component in cycloaddition reactions, and a special focus has been given to the studies carried out within the Molecular Electron Density Theory as it provides insight into molecular mechanisms and reactivity in organic chemistry.