Journal
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
Volume -, Issue 40, Pages 4413-4420Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.201800567
Keywords
Gold; Phosphine ligands; Fluorine; Thiolates
Categories
Funding
- DGAPA-UNAM [IN210818]
- CONACYT-Mexico [CB-2012/177498]
- Spanish Government [CTQ-2015-65790-P]
- DGTIC/UNAM [LANCAD-UNAM-DGTIC-250]
- [270993]
- [381483]
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We examined the Au-P and Au-X chemical bonding scenario throughout the series of compounds of the general formula [AuX(L-P)] wherein LP is triphenylphosphine or a fluorinated phosphine [PPhF = P(C6H5)(2)(C6F5) 1, P(C6H5)(C6F5)(2) 2 and P(C6F5)(3) 3] and X is chloride or a fluorinated thiolate [SRF = SCF3 a, SCH2CF3 b, SC6F5 c, SC6F4(CF3)-4 d]. We found that the increase of the fluorination degree or the replacement of Cl- by a -SRF ligand decreases the stability of the compound. Furthermore, this substitution shifts the P-31-NMR signals to low field, which indicates differences in the electronegativity of the phosphorus due to the distinct trans influences of the Cl- and -SRF species. These effects correlate with the charge of the gold atom coordinated to phosphorus. Our investigation shows the high potential of fluorination as a strategy for the modulation of the properties of gold compounds, for example in catalysis, and the applicability of quantum chemical topology studies in the explanation of these features.
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