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Vibrational spectra and normal coordinate calculations for some dimethyl sulfide complexes of gold(I) and gold(III)
Author(s) -
Butler Ian S.,
Neppel Anton,
Plowman Keith R.,
Shaw C. Frank
Publication year - 1984
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250150505
Subject(s) - chemistry , raman spectroscopy , dimethyl sulfide , force constant , oxidation state , sulfur , infrared spectroscopy , infrared , sulfide , atom (system on chip) , crystallography , molecule , metal , organic chemistry , physics , computer science , optics , embedded system
Infrared and Raman spectra have been recorded at various temperatures for the solld gold (I) and gold (III) coordination compounds (CH 3 ) 2 SAuX (X = Cl, Br), (CH 3 ) 2 SAuCl 3 and their perdeuteriated derlvatives. Vibrational assignments are proposed for the observed bands on the basis of modified Urey‐Bradley force field calculations. The primary force constants, K (Au‐X) and K (Au‐S), are essentially independent of the oxidation state of the gold atom. The data also show that (CH 3 ) 2 S and (CH 3 ) 3 P have similar trans ‐directing influences in the ground state. The signs of the interaction constants in the square‐planar species, together with the slightly larger trans ‐to‐sulfur Au‐Cl stretching force constant in comparison with the corresponding cis value, suggest that the trans ‐to‐sulfur Au‐Cl bond is stabilized relative to the cis Au‐Cl bonds by the presence of the (CH 3 ) 2 S ligand.