Article ID Journal Published Year Pages File Type
5428636 Journal of Quantitative Spectroscopy and Radiative Transfer 2013 6 Pages PDF
Abstract

•Semi-classical calculations of temperature-dependent CH3Cl-N2/O2/air-broadening coefficients.•Determination of temperature exponents.•J- and K-dependences.•Validation of temperature exponents on available low-temperature measurements.•Linelist of broadening coefficients and temperature exponents for CH335,37Cl (J≤70, K≤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 0≤J≤70 and K≤20 are given as supplementary materials for use in atmospheric applications and spectroscopic databases.

Related Topics
Physical Sciences and Engineering Chemistry Spectroscopy
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