Infrared spectra of OCS-C6H6, OCS-C6H6-He, and OCS-C6H6-Ne van der Waals complexes

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DOIResolve DOI: http://doi.org/10.1063/1.343057
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TypeArticle
Journal titleThe Journal Of Chemical Physics
ISSN00219606
Volume132
Pages194303–; # of pages: 6
AbstractThe infrared spectrum of weakly bound OCS–C6H6 is studied in the region of the ν1 fundamental band of OCS ( ~ 2050 cm−1) using a tunable diode laser spectrometer to probe a pulsed supersonic jet expansion. This is one of the first direct infrared observations of a benzene-containing van der Waals complex. A very simple band is observed, corresponding to the parallel transition of a symmetric top. It is shifted by −11.1 cm−1 with respect to the free OCS monomer. The isotopologues OCS–13C 12C5H6 and OC 34S–C6H6 are observed, and the derived structure has OCS located along the benzene C6 symmetry axis in an S-bonded configuration with a center of mass separation of 4.42 Å, in good agreement with previous microwave spectra. Similar bands are observed for the trimers OCS–C6H6–He and OCS–C6H6–Ne, whose structure is obtained by adding an on-axis rare gas atom to the other side of the benzene. However, the analogous band for OCS–C6H6–Ar is not detected, raising the possibility that the stable form of this trimer may not have the same symmetrical structure. A “mystery” feature is observed close to the OCS–C6H6 band origin and its possible assignment to a cluster such as OCS–(C6H6)3 is discussed.
Publication date
LanguageEnglish
AffiliationNRC Steacie Institute for Molecular Sciences; National Research Council Canada
Peer reviewedYes
NPARC number17653063
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Record identifieredc4a332-029c-4666-81fe-76c3825c455b
Record created2011-03-31
Record modified2016-05-09
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