The Radical Cations of Silaketene and Several Isomers of [C,H₂,Si,O]^˙⊕: An Ab Initio MO Investigation

Abstract

The relative stabilities of ketene and silaketene radical cations are distinctly different. According to this result from MO calculations, 1 corresponds to the global minimum in the case of silicon, while in the case of carbon H2CCO˙⊕ is more stable than H2COC˙⊕. For the silicon analogue of the former, H2SiCO˙⊕, a minimum also results, but for structure 2 rather than a structure with C2v symmetry.