Infrared Spectra of (CO2)2-OCS Complex: Infrared Observation of Two Distinct Barrel-Shaped Isomers

Details Infrared Spectra of (CO2)2-OCS Complex: Infrared Observation of Two Distinct Barrel-Shaped Isomers Infrared Spectra of (CO2)2-OCS Complex: Infrared Observation of Two Distinct Barrel-Shaped Isomers

Jun 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..conferi08n&link_type=abstract

"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec

Physics

Infrared/Raman (Vibrational)

Scientific paper

Spectra of (CO2)2-OCS complex in the region of the OCS ν 1 fundamental (˜ 2062 cm-1) are observed using a tunable diode laser to probe a pulsed supersonic slit jet expansion. A previous microwave study of the complex by Peebles and Kuczkowskia gave a distorted triangular cylinder. The geometerical disposition of the three dimer faces of this trimer are quite similar to the slipped CO2 dimer, the lowest energy form of OCS-CO2 (isomer a), also observed and analyzed in the microwave region, and the higher energy form of OCS-CO2 (isomer b), first observed by our group in the infrared region. Here we report the observation and analysis of two infrared bands, corresponding to two distinct isomers of the (CO2)2-OCS complex. A band around 2058.8 cm-1 was assigned to isomer I, which is the same as that studied previously by microwave spectroscopy. A second band around 2051.7 cm-1 was assigned to a higher energy isomer of the complex, isomer II, has not been observed previously, but expected on the basis of ab initio calculations. Approximate structural parameters for this new isomer were obtained by means of isotopic substitution. In contrast to isomer I, the geometerical disposition of the faces containing OCS and CO2 in isomer II are similar to isomer b of the OCS-CO2 complex.
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