Gold behaves as hydrogen? A joint theoretical and experimental study
It has been established that noble-metal-H analogue has been found in a large number of noble-metal-ligand clusters in view of geometric and electronic structures. Here, we demonstrated different view of noble-metal-H analogue between noble-metal and hydrogen in M(SCH3)2- (M = Cu, Ag, Au and H) systems. Although as we all know, H(SCH3)2- is typical ion-hydrogen bonding cluster dramatically different from the chemical bonding nature in clusters of M(SCH3)2- (M = Cu, Ag and Au), the comparison of the two typical bonding patterns has not yet been fully investigated. Through a series of chemical bonding analyses, it is indicated that the evolution has been exhibited from typically ionic bonding in Cu(SCH3)2- to significantly covalent bonding nature in Au(SCH3)2- and hydrogen bonding dominates in H(SCH3)2-. The comparison of M(SCH3)2- (M = Cu, Ag and Au) with H(SCH3)2- illustrates the differences in bonding between noble-metal and hydrogen, which are mainly related to their diverse atomic orbitals participating in chemical bonding.