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Oxygen- and air-broadening coefficients for the CH3I ν6 fundamental at room temperature
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2021-07-14 , DOI: 10.1016/j.jqsrt.2021.107839
L. Troitsyna 1 , A. Dudaryonok 2 , N. Filippov 3 , N. Lavrentieva 2 , J. Buldyreva 1
Affiliation  

CH3I-oxygen line-broadening coefficients at 296 K are calculated for the RR, PR, RP, PP, RQ and PQ sub-branches of the ν6 band in a wide range of rotational quantum numbers (0J70, K20 by a semi-classical and a semi-empirical methods. The computed values compare very favourably with the available experimental data and therefore can be safely employed as estimates of broadening coefficients missing in databases for high J and K. The theoretical data for CH3I-O2 are further combined with the previously calculated room-temperature CH3I-N2 line-broadening coefficients to obtain the air-broadening values required for atmospheric applications. The calculated results demonstrate an excellent consistency with both existing sets of CH3I-air measurements. As the vibrational dependence of CH3I oxygen-broadening coefficients is shown to be small, similarly to the nitrogen-broadening case, the CH3I-O2 and CH3I-air line-broadening coefficients calculated for the ν6 fundamental can be used for other perpendicular and parallel bands.



中文翻译:

CH 的氧气和空气增宽系数3一世 ν6 室温基本

CH3R R、P R、R P、P P、R Q 和P Q 子分支计算了 296 K 时的 I-氧线加宽系数。ν6 带在很宽的旋转量子数范围内(0J70, 20通过半经典和半经验方法。计算值与可用的实验数据相比非常有利,因此可以安全地用作估计数据库中缺少的高扩展系数J. CH的理论数据3输入输出2 进一步结合先前计算的室温 CH32线加宽系数以获得大气应用所需的空气加宽值。计算结果表明与现有的两套 CH 都具有极好的一致性3I-空气测量。由于 CH 的振动依赖性3I 氧增宽系数很小,类似于氮增宽情况,CH3输入输出2 和CH3ν6 basic 可用于其他垂直和平行波段。

更新日期:2021-07-24
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