Owens, A;
Yachmenev, A;
Thiel, W;
Fateev, A;
Tennyson, J;
Yurchenko, SN;
(2018)
ExoMOL line lists - XXIX. The rotation-vibration spectrum of methyl chloride up to 1200 K.
Monthly Notices of the Royal Astronomical Society
, 479
(3)
pp. 3002-3010.
10.1093/mnras/sty1542.
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Abstract
Comprehensive rotation-vibration line lists are presented for the two main isotopologues of methyl chloride, 12CH3 35Cl and 12CH3 37Cl. 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 > 1.56μm). Over 166 billion transitions among 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.
| Type: | Article |
|---|---|
| Title: | ExoMOL line lists - XXIX. The rotation-vibration spectrum of methyl chloride up to 1200 K |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1093/mnras/sty1542 |
| Publisher version: | https://doi.org/10.1093/mnras/sty1542 |
| Language: | English |
| Additional information: | Copyright © The Author(s) 2018. Published by Oxford University Press on behalf of The Royal Astronomical Society. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited. |
| Keywords: | molecular data, opacity, planets and satellites: atmospheres, stars: atmospheres, ISM: molecules |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10050205 |
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