Study of the MAu6(M = Cr, Mo, W) molecular species: A transition from halogenlike to hydrogenlike chemical behavior for gold

Quantum chemical calculations suggest that a series of molecules with the general formula MAu6 are stable, where M is a a group 6 atom, Cr, Mo, W, respectively. These species have a structure analogous to the corresponding MH6 compounds, while they differ from the MX6, where X is a halogen. The further reaction MAu6 + 3Au2 → MAu12 is strongly exothermic.