The ThC double bond: an experimental and computational study of thorium poly-carbene complexes

Abstract

The first thorium poly-carbene complexes [(Ph₂PS)₂C]₂Th(DME) (2) and [{[(Ph₂PS)₂C]₃Th}Li₂(DME)]_n (3) have been prepared and structurally characterized. DFT calculations reveal that the ThC bond is polarized toward the nucleophilic carbene carbon atom, which is further verified by the experimental observation that the ThC bond shows a nucleophilic behavior with Ph₂CO.