Theoretical O2- and N2-Broadening Coefficients of CH3Cl Spectral Lines

J.P. Bouanich, G. Blanquet, J. Walrand

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    The intermolecular potential derived by Leavitt from irreducible tensor methods is used in a semiclassical impact theory to calculate the O- and N-broadening coefficients of the P(J, K) and R(J, K) lines belonging to a parallel band of CHCl. To describe the trajectory model, we have used a Lennard-Jones isotropic potential. The parameters of this potential have been calculated for CHCl, O, and N by fitting experimental values of second-virial coefficients. By choosing some of the potential parameters among values available in the literature, we have obtained results that are generally in satisfactory agreement with experimental data. Our calculation predicts that for the lines belonging to the same low or medium J transitions, the broadening coefficients decrease significantly as K increases, especially for CHCl-N.
    Original languageEnglish
    Pages (from-to)416-426
    Number of pages11
    JournalJournal of molecular spectroscopy
    Issue number2
    Publication statusPublished - 1 Oct 1993


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