Fundamentals and Torsional Combination Bands of Two Isomers of the OCS-CO2 Complex

Details Fundamentals and Torsional Combination Bands of Two Isomers of the OCS-CO2 Complex Fundamentals and Torsional Combination Bands of Two Isomers of the OCS-CO2 Complex

Jun 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..conferi09o&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

Infrared spectra of two isomers of the weakly bound OCS-CO2 complex were observed using a tunable diode laser to probe a pulsed supersonic slit-jet. Spectra were recorded in the regions of OCS ν1 (˜2060 cm-1) and CO2 ν3 (˜2349 cm-1) fundamental stretching vibrations. The lowest energy isomer (isomer a) was previously studied by microwave spectroscopy. Here we report the first infrared observation of isomer a and also detection of a new higher energy form (isomer b). Structures were determined with the help of isotopic substitution. Both isomers are planar, with slipped near-parallel geometries. In isomer a, the intermolecular (centre of mass) separation is 3.55 Å and the C atom of the CO2 is closer to the S atom of the OCS. In isomer b, the C atom of CO2 slides closer to the O atom of OCS and the center of mass separation increases to 3.99 Å. Three combination bands involving the intermolecular torsional (out-of-plane bend) vibrations were also analyzed. The out-of-plane torsional frequencies were measured to be 18.8 cm-1 and 15.9 cm-1 for isomers a and b, respectively, indicating that isomer a is indeed more bound than isomer b.
Stewart E. Novick, R. D. Seunram and F. J. Lovas, J. Chem. Phys. 88, 687-690 (1988).
M. Dehghany, J. Norooz Oliaee, Mahin Afshari, N. Moazzen-Ahmadi and A. R. W. McKellar, J. Chem. Phys. 130, 224310 (2009).

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