Investigations into the Stability of Siloxy Carbene Intermediates and the Corresponding Oxocarbenium Ions

Abstract

This report describes an investigation using dispersion-corrected DFT into the structures and stabilities of siloxy carbenes. Siloxy carbenes can be formed photochemically via a 1,2-Brook rearrangement and are an intriguing functional group that has exhibited diverse reactivity in organic synthesis. This investigation sheds light onto the key factors that influence the stability and reactivity of these carbene intermediates.