Bonding and Reactivity of a μ‐Hydrido Dicopper Cation

Abstract

A bent dicopper-hydride cation that has an N-heterocyclic carbene supporting ligand has a Cu-H-Cu angle of 122° in the solid state. Density functional theory suggests an open three-centered metal-hydrogen interaction. The hydride reacts readily with methanol and with carbon dioxide; insertion of phenylacetylene affords a gem-dicopper vinyl complex.