Turfa, Alexander F. and Liu, Wing-ki and Marcus, R. A. (1977) Semiclassical theory of the effects of collisions between rotors on molecular spectral lineshapes. II. Calculations for several systems. Journal of Chemical Physics, 67 (10). pp. 4468-4475. ISSN 0021-9606 http://resolver.caltech.edu/CaltechAUTHORS:TURjcp77b
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The T2 (microwave line broadening) and T1 (microwave transient experiments) collisional cross sections are obtained by Monte Carlo trajectory evaluations of semiclassical (WKB) expressions for those quantities derived in a previous paper in this series. The calculated values of the cross sections presented here yields the relation T1~T2 (within standard error) for the systems OCS–OCS, OCS–N2, OCS–H2, OCS–CO2, and HCN–HCN, a result which agrees with recent experimental findings. Reasonable agreement was also found between the calculated values of the T2 cross section and those observed spectroscopically.
|Additional Information:||Copyright © 1977 American Institute of Physics (Received 29 March 1977)|
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