Abstract
[AuAg3(C6F5)(CF3CO 2)3 (CH2PPh3)Jn (2) was prepared by reaction of [Au(C6F5)(CH2PPh3)] (1) and [Ag(CF3CO2)] (1:3). The crystal structures of complexes 1 and 2 were determined by X-ray diffraction, and the latter shows a polymeric 2D arrangement built by Au-Ag, Ag-Ag, and Ag-O contacts. The metallophilic interactions observed in 2 in the solid state seem to be preserved in concentrated THF solutions, as suggested by EXAFS, pulsed-gradient spin-echo NMR, and photophysical studies, which showed that the structural motif [AuAg3(C6F5)(CF3CO2) 3(CH2PPh3)] is maintained under such conditions. Time-dependent DFT calculations agree with the experimental photophysical energies and suggest a metalto-ligand charge-transfer phosphorescence process. Ab initio calculations give an e timated interaction energy of around 60 kJ mol-1 for each Au-Ag interaction.
Original language | English |
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Pages (from-to) | 6222-6233 |
Number of pages | 12 |
Journal | Chemistry - A European Journal |
Volume | 15 |
Issue number | 25 |
DOIs | |
Publication status | Published - 15 Jun 2009 |
Keywords
- Ab initio calculations
- EXAFS spectroscopy
- Gold
- Metal-metal interactions
- Silver
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CCDC 712220: Experimental Crystal Structure Determination
Fernández, E. J. (Contributor), Hardacre, C. (Contributor), Laguna, A. (Contributor), Lagunas, M. C. (Contributor), López-de-Luzuriaga, J. M. (Contributor), Monge, M. (Contributor), Montiel, M. (Contributor), Elena Olmos, M. (Contributor), Puelles, R. C. (Contributor) & Sánchez-Forcada, E. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2010
DOI: 10.5517/ccrx3vl, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccrx3vl&sid=DataCite
Dataset
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CCDC 712221: Experimental Crystal Structure Determination
Fernández, E. J. (Contributor), Hardacre, C. (Contributor), Laguna, A. (Contributor), Lagunas, M. C. (Contributor), López-de-Luzuriaga, J. M. (Contributor), Monge, M. (Contributor), Montiel, M. (Contributor), Elena Olmos, M. (Contributor), Puelles, R. C. (Contributor) & Sánchez-Forcada, E. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2010
DOI: 10.5517/ccrx3wm, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccrx3wm&sid=DataCite
Dataset