A dihydrogen bond between a bridging hydride and the NH proton of a coordinated dimethylamine: solid state, solution and theoretical characterization

The addition of one equivalent of dimethylamine (DMA) to the “super-unsaturated” cluster anion [Re3(μ3-H)(μ-H)3(CO)9]− affords the novel unsaturated derivative [Re3(μ-H)4(CO)9(DMA)]− in which an intra-molecular dihydrogen bond is present. This interaction has been characterized in the solid state, in solution and by theoretical computations.