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Evidence of Significant Covalent Bonding in Au(CN)2
Ist Teil von
Journal of the American Chemical Society, 2009-11, Vol.131 (45), p.16368-16370
Ort / Verlag
United States: American Chemical Society
Erscheinungsjahr
2009
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
The Au(CN)2 − ion is the most stable Au compound known for centuries, yet a detailed understanding of its chemical bonding is still lacking. Here we report direct experimental evidence of significant covalent bonding character in the Au−C bonds in Au(CN)2 − using photoelectron spectroscopy and comparisons with its lighter congeners, Ag(CN)2 − and Cu(CN)2 −. Vibrational progressions in the Au−C stretching mode were observed for all detachment transitions for Au(CN)2 −, in contrast to the atomic-like transitions for Cu(CN)2 −, revealing the Au−C covalent bonding character. In addition, rich electronic structural information was obtained for Au(CN)2 − by employing 118 nm detachment photons. Density functional theory and high-level ab initio calculations were carried out to understand the photoelectron spectra and obtain insight into the nature of the chemical bonding in the M(CN)2 − complexes. Significant covalent character in the Au−C bonding due to the strong relativistic effects was revealed in Au(CN)2 −, consistent with its high stability.