Computational exploration of vinyl sulfoxonium ylide chemistry

Abstract

This review comprehensively examines the computational techniques employed to elucidate the reactivity, selectivity, and mechanistic pathways of vinyl sulfoxonium ylides. By delving into a spectrum of reactions ranging from insertion and cycloaddition to annulation, multicomponent reactions, and carbene-mediated transformations, we demonstrate the pivotal role of computational techniques in understanding the mechanism, reactivity and selectivity. The synergy between experimental and computational approaches is emphasized as a driving force for future breakthroughs and the continuous evolution of this dynamic and emerging field.