Observation of a planar isomer of the OCS-(C2H2) 2 trimer

  1. Get@NRC: Observation of a planar isomer of the OCS-(C2H2) 2 trimer (Opens in a new window)
DOIResolve DOI: http://doi.org/10.1016/j.cplett.2011.07.017
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Journal titleChemical Physics Letters
Pages167171; # of pages: 5
SubjectAb initio calculations; Fundamental bands; Infrared spectrum; Isotopologues; Jet expansion; Microwave spectrum; Rotational constants; Semi-empirical calculation; Tunable diode lasers; Calculations; Microwave spectroscopy; Oligomers; Spectroscopy; Supersonic aerodynamics; Isomers
AbstractInfrared spectra of a new planar isomer of the OCS-(C2H 2)2 trimer are observed in the region of the OCS ν1 fundamental band (∼2060 cm-1) using a tunable diode laser to probe a pulsed supersonic slit jet expansion. Three isotopologues are analyzed in detail (16OCS-(HCCH)2, 16OCS-(DCCD)2, and 18OCS-(DCCD)2), while the spectrum of a fourth is found to be heavily perturbed ( 18OCS-(HCCH)2). Observed rotational constants of planar OCS-(C2H2)2 agree fairly well with previous ab initio calculations, and with previous and present semi-empirical calculations. It should now be possible to assign the microwave spectrum of planar OCS-(C 2H2)2. © 2011 Elsevier B.V. All rights reserved.
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AffiliationNational Research Council Canada (NRC-CNRC); NRC Steacie Institute for Molecular Sciences (SIMS-ISSM)
Peer reviewedYes
NPARC number21271135
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Record identifier5fa3a1e0-a260-4f74-a7e2-2aeb712b895d
Record created2014-03-24
Record modified2016-05-09
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