New combination bands of N2O-CO2, N2O-OCS, and N2O-N2 complexes in the N2O ν(1) region.

J Chem Phys

Department of Physics and Astronomy, University of Calgary, 2500 University Drive North West, Calgary, Alberta T2N 1N4, Canada.

Published: January 2014

Spectra of the weakly bound complexes N2O-CO2, N2O-OCS, and N2O-N2 were studied in the region of the ν1 fundamental of N2O (∼2224 cm(-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 N2O-N2, a band involving the disrotation (in-plane geared bend) for of N2O-CO2, and a band involving the out-of-plane torsional vibration for isomer b of N2O-OCS. Small perturbations were noted for the N2O-OCS band. Because of the absence of theoretical prediction, the nature of the intermolecular bending mode for N2O-N2 has not been identified. The resulting intermolecular frequencies are 34.175(1), 17.107(1), and 22.334(1) cm(-1) for N2O-CO2, N2O-OCS, and N2O-N2, respectively. In addition, the previously known fundamental band of N2O-N2 at 2225.99 cm(-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 N2O-N2 is not exactly T-shaped. That is, the N2O molecular axis is not exactly perpendicular to the a-inertial axis, in agreement with a previous structural determination of this complex by rotational spectroscopy.

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Source
http://dx.doi.org/10.1063/1.4862914DOI Listing

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