Line parameters measurements and modeling for the nu(6) band of CH3I: A complete line list for atmospheric databases

The present work is dedicated to the nu(6) band of (CH3I)-C-12 with the aim of generating a complete line list for databases. High resolution Fourier transform spectra have been recorded in MONARIS and a multispectrum fitting procedure using Voigt profile has been applied to retrieve line positions, intensities, and self-broadening coefficients for around 1200 transitions of the nu(6 )band between 854 and 963 cm(-1). Rotational dependences of transition dipole moment squared and self-widths have been studied and empirically modeled. Line positions are retrieved with accuracy equal to 4.10(-4) cm(-1). The accuracy of line intensities and self-widths measurements is estimated between 5 and 10 %. Theoretical estimates of CH3I self-broadening coefficients for large ranges of rotational quantum numbers (0 <= J <= 70, 0 <= K <= 20) are also provided in the frame of a semi-classical approach with exact trajectories and of a semi-empirical method including a correction factor to the Anderson-type line-width expression. Comparisons of our results with the data previously published in the literature are presented and discussed. A complete line list of 5787 transitions is generated. Available as supplementary material, this line list can be used for spectroscopic databases and atmospheric or industrial detection of CH3I. (C) 2019 Published by Elsevier Ltd.