Infrared spectrum of the CS 2 trimer: Observation of a structure with D 3 symmetry

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DOIResolve DOI: http://doi.org/10.1039/c1cp20900k
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TypeArticle
Journal titlePhysical Chemistry Chemical Physics
ISSN1463-9076
Volume13
Issue27
Pages1263512639; # of pages: 5
AbstractInfrared spectra of a carbon disulfide trimer formed in a pulsed supersonic slit-jet expansion are obtained via direct absorption of a tuneable diode laser in the region of the CS 2ν 3 fundamental (∼1535 cm -1). This is the first high-resolution spectroscopic observation of (CS 2) 3. Two bands sharing the same lower state are assigned to ( 12C 32S 2) 3. These correspond to the two infrared active trimer vibrations (a parallel and a perpendicular band) of the constituent CS 2 monomer asymmetric stretches. The weaker perpendicular band is centered at 1524.613 cm -1, shifted by -10.74 cm -1 with respect to the free CS 2 monomer. The parallel band is centered at 1545.669 cm -1, a vibrational shift of +10.31 cm -1. Transitions with K ≠ 3n and those with K = 0, J = odd in the ground state are absent, establishing that this trimer has D 3 symmetry. The two parameters required to define this structure are determined to be 3.811 Å for the C-C bond distance and 61.8° for the angle between a monomer axis and the plane containing the C atoms. In addition, a parallel band arising from trimers with a single 34S substitution is observed around 1544.46 cm -1. Together with the recently observed cross-shaped CS 2 dimer, these results indicate a tendency for CS 2 to form highly symmetric clusters. © the Owner Societies 2011.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC); NRC Steacie Institute for Molecular Sciences (SIMS-ISSM)
Peer reviewedYes
NPARC number21271156
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Record identifierecd439fb-aa50-4429-9d7d-394ec5609d91
Record created2014-03-24
Record modified2016-05-09
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