DOI

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 (0≤J≤70, K≤20 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.

Язык оригиналаанглийский
Номер статьи107839
Число страниц10
ЖурналJournal of Quantitative Spectroscopy and Radiative Transfer
Том273
DOI
СостояниеОпубликовано - 1 окт 2021

    Предметные области Scopus

  • Радиация
  • Атомная и молекулярная физика и оптика
  • Спектроскопия

ID: 85364469