Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5428636 | Journal of Quantitative Spectroscopy and Radiative Transfer | 2013 | 6 Pages |
â¢Semi-classical calculations of temperature-dependent CH3Cl-N2/O2/air-broadening coefficients.â¢Determination of temperature exponents.â¢J- and K-dependences.â¢Validation of temperature exponents on available low-temperature measurements.â¢Linelist of broadening coefficients and temperature exponents for CH335,37Cl (Jâ¤70, Kâ¤20).
Air-broadening coefficients and associated temperature exponents for CH335Cl and CH337Cl (vib)rotational transitions of QR-type branches are calculated by a semi-classical approach previously validated on extensive room-temperature measurements. Contrary to the theoretical methods used in the literature for the CH3X-type absorbers, the active molecule is rigorously treated as a symmetric top with long- as well as short-range interactions and the exact classical trajectories are employed for the relative molecular motion. Analogous parameters additionally computed for N2- and O2-broadening provide a very favorable comparison with available low-temperature experimental results and ensure the reliability of the reported values in the interval of atmospheric interest 200-300 K. Numerical data for 0â¤Jâ¤70 and Kâ¤20 are given as supplementary materials for use in atmospheric applications and spectroscopic databases.