Calculation of methylcyanide line broadening coefficients: selfand nitrogen–broadening
N.N. Lavrentieva1,2, A.S. Dudaryonok1,2, J.V. Buldyreva3
1V.E. Zuev Institute of Atmospheric Optics of Siberian Branch of the Russian Academy of Science, 1, Academician Zuev square, Tomsk, 634021, Russia
2National Research Tomsk State University, 36, Lenin Avenue, Tomsk, 634050,Russia
3Institute UTINAM, UMR CNRS 6213, Université de Franche-Comté, 16 route de Gray, 25030 Besançon cedex, France
Keywords: line–broadening, symmetric top, methylcyanide, line–contour, intermolecular interactions
Abstract
Calculated self- and nitrogen-broadening coefficients of methylcyanide lines are presented. The calculations are performed at the room temperature (Т = 296 K) for ~ 1 400 lines, rotational quantum numbers vary in ranges 0 ≤ J ≤ 70; 0 ≤ K ≤ 10. The temperature exponents for every value of broadening in the case of the Earth and Titan atmospheres temperature ranges are calculated. The calculations are made by a semi-empirical method, which is a modification of impact theory, based on the use of measured values of line contour parameters. A good agreement is obtained with experimental data.
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