ExoMol molecular line lists - XXVII: spectra of C2H4

Mant, Barry P; Yurchenko, Sergei; Yachmenev, Andrey; Tennyson, Jonathan

doi:10.1093/mnras/sty1239

Journal Article

PUBDB-2018-02006

ExoMol molecular line lists - XXVII: spectra of C2H4

Mant, B. P. ; Yachmenev, A.CFEL*DESY* ; Tennyson, J. (Corresponding author) ; Yurchenko, S.

2018
Oxford Univ. Press Oxford

Monthly notices of the Royal Astronomical Society 478(3), 3220 - 3232 (2018) [10.1093/mnras/sty1239]

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Please use a persistent id in citations: doi:10.1093/mnras/sty1239 doi:10.3204/PUBDB-2018-02006

Abstract: A new line list for ethylene, $^{12}$C$_2$$^{1}$H$_4$ is presented. The line list is based on high level ab initiopotential energy and dipole moment surfaces. The potential energy surface is refined by fitting to experimental energies. The line list covers the range up to 7000 cm$^{-1}$ (1.43 μm) with all ro-vibrational transitions (50 billion) with the lower state below 5000 cm$^{-1}$ included and thus should be applicable for temperatures up to 700 K. A technique for computing molecular opacities from vibrational band intensities is proposed and used to provide temperature dependent cross sections of ethylene for shorter wavelength and higher temperatures. When combined with realistic band profiles (such as the proposed three-band model), the vibrational intensity technique offers a cheap but reasonably accurate alternative to the full ro-vibrational calculations at high temperatures and should be reliable for representing molecular opacities. The C$_2$H$_4$ line list, which is called MaYTY, is rmade available in electronic form from the CDS (http://cdsarc.u-strasbg.fr) and ExoMol (www.exomol.com) databases.

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