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

التفاصيل البيبلوغرافية
العنوان: ExoMol line lists - XXIX. The rotation-vibration spectrum of methyl chloride up to 1200 K
المؤلفون: Owens, A., Yachmenev, A., Thiel, W., Fateev, A., Tennyson, J., Yurchenko, S. N.
المصدر: MNRAS, 479, 3002-3010 (2018)
سنة النشر: 2018
المجموعة: Astrophysics
مصطلحات موضوعية: Astrophysics - Earth and Planetary Astrophysics
الوصف: Comprehensive rotation-vibration line lists are presented for the two main isotopologues of methyl chloride, $^{12}$CH$_3{}^{35}$Cl and $^{12}$CH$_3{}^{37}$Cl. 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 $\lambda> 1.56\,\mu$m). 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 {\it 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.
نوع الوثيقة: Working Paper
DOI: 10.1093/mnras/sty1542
URL الوصول: http://arxiv.org/abs/1806.03457
رقم الأكسشن: edsarx.1806.03457
قاعدة البيانات: arXiv