THEORETICAL O-2-BROADENING AND N2-BROADENING COEFFICIENTS OF CH3CL SPECTRAL-LINES

The intermolecular potential derived by Leavitt from irreducible tensor methods is used in a semiclassical impact theory to calculate the O2- and N2-broadening coefficients of the qP(J, K) and qR(J, K) lines belonging to a parallel band of CH335Cl. To describe the trajectory model, we have used a Lennard-Jones isotropic potential. The parameters of this potential have been calculated for CH3Cl, O2, and N2 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 CH3Cl-N2. © 1993 Academic Press, Inc.