Computer Science
Scientific paper
Jun 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confeti11r&link_type=abstract
"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec
Computer Science
Infrared/Raman
Scientific paper
Infrared spectra of carbon disulfide trimer formed in a pulsed supersonic slit-jet expansion are obtained via direct absorption of a tuneable diode laser in the region of the CS_2 ν_3 fundamental band (˜ 1535 Cm-1). Two bands sharing the same lower state were assigned to (C32S_2)_3. These correspond to the two infrared active vibrations (a parallel and a perpendicular band) of the constituent CS_2 asymmetric stretches. The weaker perpendicular band is centered at 1524.613 Cm-1. It is shifted by -10.74 Cm-1 with respect to the free CS_2 monomer. The parallel band which is significantly stronger is centered at 1545.669 Cm-1. It has a vibrational shift of +10.31 Cm-1. The transitions with K≠ 3n and those with J= odd and K=0 in the ground state are absent in both bands. This rigorously establishes that this isomer of carbon disulfide trimer has D_3 symmetry. Thanks to the symmetry, only two parameters, the C-C distance and the angle between a monomer axis and the plane containing the C atoms, are required to fully define the structure of the trimer. These were determined to be 3.811 {Å} and 61.8°, respectively. In addition, a parallel band corresponding to a single 34S substitution was observed around 1544.46 Cm-1. Results from this band are in complete agreement with those of the two bands for (C32S_2)_3.
McKellar A. R. W.
Moazzen-Ahmadi Nasser
Norooz Oliaee J.
Rezaei M.
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