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Title: New combination bands of N{sub 2}O-CO{sub 2}, N{sub 2}O-OCS, and N{sub 2}O-N{sub 2} complexes in the N{sub 2}O ν{sub 1} region

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4862914· OSTI ID:22255183
;  [1]
  1. Natural Resources Canada, CanmetENERGY, 1 Oil Patch Drive, Suite A202, Devon, Alberta T9G 1A8 (Canada)

Spectra of the weakly bound complexes N{sub 2}O-CO{sub 2}, N{sub 2}O-OCS, and N{sub 2}O-N{sub 2} were studied in the region of the ν{sub 1} fundamental of N{sub 2}O (∼2224 cm{sup −1}) using a tunable quantum cascade laser to probe a pulsed supersonic jet expansion with an effective rotational temperature of about 2.5 K. One new combination band was observed for each complex: a band involving an intermolecular in-plane bending mode for N{sub 2}O-N{sub 2}, a band involving the disrotation (in-plane geared bend) for of N{sub 2}O-CO{sub 2}, and a band involving the out-of-plane torsional vibration for isomer b of N{sub 2}O-OCS. Small perturbations were noted for the N{sub 2}O-OCS band. Because of the absence of theoretical prediction, the nature of the intermolecular bending mode for N{sub 2}O-N{sub 2} has not been identified. The resulting intermolecular frequencies are 34.175(1), 17.107(1), and 22.334(1) cm{sup −1} for N{sub 2}O-CO{sub 2}, N{sub 2}O-OCS, and N{sub 2}O-N{sub 2}, respectively. In addition, the previously known fundamental band of N{sub 2}O-N{sub 2} at 2225.99 cm{sup −1} was analyzed in improved detail. This band exhibits very weak a-type transitions which were not detected in the first infrared observation of this complex, indicating that N{sub 2}O-N{sub 2} is not exactly T-shaped. That is, the N{sub 2}O molecular axis is not exactly perpendicular to the a-inertial axis, in agreement with a previous structural determination of this complex by rotational spectroscopy.

OSTI ID:
22255183
Journal Information:
Journal of Chemical Physics, Vol. 140, Issue 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
Country of Publication:
United States
Language:
English