Room-temperature CH3I-N2 broadening coefficients for the ν6 fundamental

2021 
Abstract A semi-classical and a semi-empirical methods are employed to obtain line-broadening coefficients for the ν 6 band of CH 3 I-N 2 at room temperature (296 K). Calculations are performed for lines in the R, P and Q branches in a broad range of rotational quantum numbers ( 0 ≤ J ≤ 70 , K ≤ 20 ) typically required for spectroscopic databases. The results demonstrate a good consistency with available Voigt-profile measurements. Owing to the negligible vibrational dependence, our data for the ν 6 fundamental can be used for other parallel and perpendicular bands.
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