Study Of The Nature Of Closed-Shell Hg-Ii Center Dot Center Dot Center Dot M-I (M = Cu, Ag, Au) Interactions

Heteronuclear complexes [HgM(o-C6H4PPh2)(2)]X (M = Au, X = ClO4 (1); M = Ag, X = BF4 (2); M = Ag, X = CF3CO2 (3); M = Cu, X = Br (4)) were prepared by the treatment of [Hg(o-C6H4PPh2)(2)] with one equivalent of the corresponding coinage metal salt. Their crystal structures, determined by X-ray diffraction methods, display Hg-II center dot center dot center dot M-I (M = Au, Ag, Cu) contacts. Ab initio calculations show similar interaction energies (ca. 40 kJ center dot mol(-1)) and similar origin (dispersive forces) for these Hg center dot center dot center dot Au, Hg center dot center dot center dot Ag, and Hg center dot center dot center dot Cu interactions.