TY - JOUR
T1 - Theoretical O2- and N2-Broadening Coefficients of CH3Cl Spectral Lines
AU - Bouanich, J.P.
AU - Blanquet, G.
AU - Walrand, J.
N1 - Copyright 2008 Elsevier B.V., All rights reserved.
PY - 1993/10/1
Y1 - 1993/10/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0001091107&partnerID=8YFLogxK
U2 - 10.1006/jmsp.1993.1247
DO - 10.1006/jmsp.1993.1247
M3 - Article
AN - SCOPUS:0001091107
SN - 0022-2852
VL - 161
SP - 416
EP - 426
JO - Journal of molecular spectroscopy
JF - Journal of molecular spectroscopy
IS - 2
ER -