|
|||||
|
|
Aurophilic interaction in gold(I) thiosaccharinates: Synthesis, characterization, crystal structures and DFT theoretical study |
|
| Authors: | Mariana Dennehy Oscar V. Quinzani Ricardo M. Ferullo Alejandro Granados |
| Affiliation: | a INQUISUR, Departamento de Química, Universidad Nacional del Sur, Avda. Alem 1253, B8000CPB Bahía Blanca, Argentina b Departamento de Física, Universidad Nacional del Sur, Avda. Alem 1253, B8000CPB Bahía Blanca, Argentina c INFIQC, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, C.P. 5000, Córdoba, Argentina d Laboratório de Materiais Inorgánicos, Departamento de Química, Universidade Federal de Santa María, 97105-900 Santa María, RS, Brazil |
| Abstract: | 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)2·0.25 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. |
| Keywords: | Gold Thiosaccharinate X-ray diffraction Phosphines Aurophilicity DFT |
| 本文献已被 ScienceDirect 等数据库收录！ | |