Comprehensive rotation-vibration line lists are presented for the two main isotopologues of methyl chloride, 12CH335Cl and 12CH337Cl. The line lists, OYT-35 and OYT-37, are suitable for temperatures up to T = 1200 K and consider transitions with rotational excitation up to J = 85 in the wavenumber range 0–6400 cm−1 (wavelengths λ > 1.56 μm). Over 166 billion transitions between 10.2 million energy levels have been calculated variationally for each line list using a new empirically refined potential energy surface, determined by refining to 739 experimentally derived energy levels up to J = 5, and an established ab initio dipole moment surface. The OYT line lists show excellent agreement with newly measured high-temperature infrared absorption cross-sections, reproducing both strong and weak intensity features across the spectrum. The line lists are available from the ExoMol database and the CDS database.
Bibliographical note© The Author(s) 2018. Published by Oxford University Press on behalf of The Royal Astronomical Society.
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Owen, A., Yachmenev, A., Thiel, W., Fateev, A., Tennyson, J., & Yurchenko, S. N. (2018). ExoMol line lists – XXIX. The rotation-vibration spectrum of methyl chloride up to 1200 K. Royal Astronomical Society. Monthly Notices, 479(3), 3002-3010. https://doi.org/10.1093/mnras/sty1542