Designing a σ0π2 singlet ground state carbene from dicationic carbones

Abstract

Carbenes with a σ⁰π² singlet ground state are rare and little is known about their chemistry. Here, we study the potential formation of such carbenes by removal of two electrons from carbones/donor-substituted allenes. The desired electron configuration becomes favorable in the case of bis-diiminium substitution (CAAC motif).