Temperature-dependence exponents for CH3I-N-2 line-broadening coefficients

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TitreTemperature-dependence exponents for CH3I-N-2 line-broadening coefficients
Type de publicationJournal Article
Year of Publication2022
AuteursDudaryonok A., Buldyreva J., Lavrentieva N., Troitsyna L.
JournalJOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
Volume277
Pagination107956
Date PublishedJAN
Type of ArticleArticle
ISSN0022-4073
Mots-clésAtmospheric applications, Methyl iodide, Nitrogen-broadening coefficients, semi-empirical calculations, Spectroscopic databases, Temperature dependence, Temperature exponents
Résumé

Temperature-dependence exponents of the traditional power law relating line-broadening coefficients at experimental and reference temperatures are deduced for CH3I-N-2 lines in the nu(6) band from theoretical estimates in the temperature interval 200-400 K recommended for HITRAN. Perfectly linear fits in log-log coordinates indicate that this simple law is sufficient and more advanced models such as the double-power law are not applicable. Calculations are performed by a semi-empirical method employing room-temperature-adjusted model parameters which remain valid for other temperatures. Results are provided for all six sub-branches of the considered band and cover a large range of quantum numbers (0 <= J <= 70, K <= 20) requested typically by spectroscopic databases. In the absence of measurements at not-room temperatures, these data can be extremely useful for atmospheric applications involving methyl iodide, in particular for the terrestrial atmosphere. Given the negligible vibrational dependence of nitrogen-broadened CH3I line widths, the values computed for the nu(6) fundamental can be safely used for other parallel and perpendicular bands. (C) 2021 Elsevier Ltd. All rights reserved.

DOI10.1016/j.jqsrt.2021.107956