Issue 21, 2009

Infrared spectra and density functional theory calculations of coinage metal disulfide molecules and complexes

Abstract

Sulfur diatomic molecules were reacted with laser ablated Cu, Ag, and Au atoms in excess argon and condensed at 7 K. Several reaction products were identified for each metal from matrix infrared spectra through sulfur-34 isotopic shifts, spectra of sulfur isotopic mixtures, and frequencies calculated by density functional theory. The linear centrosymmetric 63CuS2, 65CuS2, and AuS2 metal disulfide molecules were observed at 508.7, 504.8, and 455.9 cm−1, respectively. The bent CuSS, AgSS, and AuSS isomers were identified from 608.6, 580.7, and 601.1 cm−1 S–S stretching fundamentals, respectively. These group 11 metals also formed cyclic tetrasulfur molecules, MS4, in contrast to group 10 metal atoms, which formed side-bonded disulfur complexes M(S2)2.

Graphical abstract: Infrared spectra and density functional theory calculations of coinage metal disulfide molecules and complexes

Article information

Article type
Paper
Submitted
03 Feb 2009
Accepted
19 Mar 2009
First published
16 Apr 2009

Dalton Trans., 2009, 4190-4198

Infrared spectra and density functional theory calculations of coinage metal disulfide molecules and complexes

X. Wang, B. Liang and L. Andrews, Dalton Trans., 2009, 4190 DOI: 10.1039/B902115A

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