New infrared bands of nonpolar OCS dimer and experimental frequencies for two intermolecular modes

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DOIResolve DOI: http://doi.org/10.1063/1.4739465
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TypeArticle
Journal titleThe Journal of Chemical Physics
ISSN0021-9606
Volume137
Issue5
Article number054304
AbstractSpectra of the nonpolar carbonyl sulfide dimer in the region of the OCS ν1 fundamental band were observed in a slit-jet supersonic expansion. The jet was probed using radiation from a tunable diode laser employed in a rapid-scan signal averaging mode. Six new bands were observed and analyzed, all of which originate from the dimer ground vibrational state. Three were vibrational fundamentals involving the (18OCS)2 and 16OCS-18OCS isotopologues. They enabled an estimate to be made of the frequency of the infrared-forbidden mode corresponding to in-phase vibration of the OCS monomers in the dimer, a value needed to obtain an intermolecular vibrational frequency from one of the observed combination bands. A relatively weak b-type dimer band centered at 2103.105 cm−¹ was assigned to the OCS 4ν2 (l = 0) bending overtone. Combination bands were observed involving the geared bend and van der Waals stretch intermolecular modes. The resulting experimental frequencies of 37.5(20) cm−¹ for the bend and 42.9727(1) cm−¹ for the stretch are in good agreement with a recent high level theoretical calculation.
Publication date
LanguageEnglish
AffiliationSecurity and Disruptive Technologies; National Research Council Canada
Peer reviewedYes
NPARC number21269056
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Record identifier39ae02ae-306b-4927-98da-5df8ef40eeed
Record created2013-12-03
Record modified2016-05-09
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