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  EXOMOL line lists – XXIX. The rotation-vibration spectrum of methyl chloride up to 1200K

Owens, 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 1200K. Monthly Notices of the Royal Astronomical Society, 479(3), 3002-3010. doi:10.1093/mnras/sty1542.

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 Creators:
Owens, A.1, 2, Author
Yachmenev, A.1, 2, Author
Thiel, Walter3, Author              
Fateev, A.4, Author
Tennyson, J.5, Author
Yurchenko, S. N.5, Author
Affiliations:
1The Hamburg Center for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, D-22761 Hamburg, Germany, ou_persistent22              
2Center for Free-Electron Laser Science (CFEL), Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, D-22607 Hamburg, Germany, ou_persistent22              
3Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
4Technical University of Denmark, Department of Chemical and Biochemical Engineering, Frederiksborgvej 399, 4000 Roskilde, Denmark, ou_persistent22              
5Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London, United Kingdom, ou_persistent22              

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Free keywords: molecular data; opacity; planets and satellites: atmospheres; stars: atmospheres; ISM: molecules
 Abstract: 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>1.56μm). 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.

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Language(s): eng - English
 Dates: 2018-06-062018-04-062018-06-062018-06-112018-09-21
 Publication Status: Published in print
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1093/mnras/sty1542
 Degree: -

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Title: Monthly Notices of the Royal Astronomical Society
  Other : Mon. Not. R. Astron. Soc.
Source Genre: Journal
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Publ. Info: Oxford : Oxford University Press
Pages: - Volume / Issue: 479 (3) Sequence Number: - Start / End Page: 3002 - 3010 Identifier: ISSN: 1365-8711
CoNE: https://pure.mpg.de/cone/journals/resource/1000000000024150