Aurophilic interaction in gold(I) thiosaccharinates: Synthesis, characterization, crystal structures and DFT theoretical study

作者：Dennehy Mariana^*; Quinzani Oscar V; Ferullo Ricardo M; Granados Alejandro; Burrow Robert A

来源：Inorganica Chimica Acta, 2011, 377(1): 77-83.

DOI：10.1016/j.ica.2011.07.052

• Gold
• Thiosaccharinate
• X-ray diffraction
• Phosphines
• Aurophilicity
• DFT

The reaction of gold with thiosaccharin ligand and additional phosphorous coligands is studied. Four new Au(I) complexes with thiosaccharinate as coordinating counteranion: [Au(tsac)(PPh(3))], [Au(2)(tsac)(2)(dppm)]center dot EtOH, Au(2)(tsac)(2)(dppe)center dot EtOH, and Au(tsac)(Htsac)(2)center dot 0.25 EtOH (tsac: thiosaccharinate, C(6)H(4)C(S)NSO(2) , dppm: bis(diphenylphosphino) methane, dppe: bis(diphenylphosphino) ethane) were synthesized and characterized by means of spectroscopic techniques (IR, UV-Vis, and (1)H, (13)C and (13)P NMR). The crystal structure of two of them, [Au(tsac)(PPh(3))] and [Au(2)(tsac)(2)(dppm)]center dot EtOH, were solved applying single crystal X-ray diffraction and studied using the density functional theory (DFT) formalism. In the latter, the aurophilic interaction between the two gold centers was analyzed and theoretically confirmed.

• 出版日期2011-11-1