Infrared spectra of the C 2H 2-(OCS) 2 van der Waals complex: Observation of a structure with C 2 symmetry

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DOIResolve DOI: http://doi.org/10.1021/jp206398w
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TypeArticle
Journal titleThe Journal of Physical Chemistry A
ISSN1089-5639
Volume115
Issue38
Pages1041610422; # of pages: 7
SubjectBlue-shifted; Fundamental vibrations; Infrared bands; Infrared spectrum; Isotopologues; Lowest-energy isomers; Non-polar; Normal form; Out of phase; Past and present; Red-shifted; Semi-empirical calculation; Tunable diode lasers; Van der Waals complex; Monomers; Spectroscopy; Supersonic aerodynamics; Van der Waals forces; Dimers
AbstractInfrared spectra of the C 2H 2-(OCS) 2 trimer are studied by means of direct infrared absorption spectroscopy. The van der Waals complexes are generated in a supersonic slit-jet apparatus and probed using a rapid-scan tunable diode laser in the region of the ν 1 fundamental vibration of the OCS monomer. Two infrared bands are analyzed for the lowest energy isomer of the trimer, which has C 2 symmetry and is experimentally observed here for the first time. A relatively strong band centered at 2068.93 cm -1 is assigned as the out-of-phase vibrations of the pair of equivalent OCS monomers. This band is blue-shifted relative to the free OCS monomer but with a reduced shift as compared with the analogous vibration of the nonpolar OCS dimer. A weaker red-shifted band observed at 2049.64 cm -1 establishes the nonplanarity of the OCS dimer subunit within the trimer. Spectra for three isotopologues in addition to the normal form are used to help define an experimental structure, which agrees well with past and present semiempirical calculations. © 2011 American Chemical Society.
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LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC); NRC Steacie Institute for Molecular Sciences (SIMS-ISSM)
Peer reviewedYes
NPARC number21271037
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Record identifier05d31be2-c18f-4836-b5c0-9569f968b381
Record created2014-03-24
Record modified2017-03-23
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