Aurophilic interaction in Gold(I) Thiosaccharinates. Synthesis, characterization, crystal structures and theoretical DFT analysis.

MARIANA DENNEHY,; OSCAR V. QUINZANI; RICARDO M FERULLO; ALEJANDRO GRANADOS; ROBERT BURROW

INORGANICA CHIMICA ACTA

ELSEVIER SCIENCE SA

Año: 2011 vol. 377 p. 77 - 83

0020-1693

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)(PPh3)], [Au2(tsac) 2(dppm)]EtOH, Au2(tsac)2(dppe)EtOH, and Au(tsac)(Htsac)20.25 EtOH (tsac: thiosaccharinate, C6H4C(S)NSO2 , dppm: bis(diphenylphosphino)methane, dppe: bis(diphenylphosphino)ethane) were synthesized and characterized by means of spectroscopic techniques (IR, UV–Vis, and 1H, 13C and 13P NMR). The crystal structure of two of them, [Au(tsac)(PPh3)] and [Au2(tsac)2(dppm)]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. 2011 Elsevier B.V. All rights reserved