A Dihydrodisilene Transition Metal Complex from an N-Heterocyclic Carbene-Stabilized Silylene Monohydride

Through the use of an N-heterocyclic carbene (NHC) and the super-silyl group (tBu3Si), the novel silylene hydride 2 could be synthesized and isolated in 41% yield. The reaction of 2 with bis(1,5-cyclooctadiene)nickel(0) afforded complex 3, which represents the first example of a dihydrodisilene transition metal complex. Compounds 2 and 3 were fully characterized, including single-crystal X-ray diffraction analysis. The reaction mechanism for the formation of 3 from 2 was investigated by density functional theory calculations, which showed that migration of the NHC from silicon to nickel takes place in this reaction.