ExoMol line lists-LIX. High-temperature line list for N2O

被引:2
|
作者
Yurchenko, Sergei N. [1 ]
Mellor, Thomas M. [1 ]
Tennyson, Jonathan [1 ]
机构
[1] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England
基金
欧洲研究理事会;
关键词
molecular data; opacity; exoplanets; planets and satellites: atmospheres; stars: atmospheres; ISM: molecules; INTERNAL PARTITION SUMS; RADIATIVE-TRANSFER; CARBON-MONOXIDE; BIOSIGNATURES; EXOPLANET; ISOTOPOLOGUES; ATMOSPHERES; ENERGIES; SPECTRUM; HITEMP;
D O I
10.1093/mnras/stae2201
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
New hot line lists for five isotopologues of N2O called TYM are presented, for the parent (N2O)-N-14-O-16 and 4 singly substituted species (N2O)-N-14-O-17, (N2O)-N-14-O-18, (NNO)-N-14-N-15-O-16 and (NNO)-N-15-N-14-O-16. The line lists have been computed with the variational program TROVE (Theoretical ROVibrational Energies) using a new empirical potential energy surface (PES) and an accurate ab initio dipole moment surface of N2O Ames-1. The PES was obtained by fitting to experimentally derived energies of N2O compiled using the well established measured active rotation vibration energy levels (MARVEL) procedure. Here we also introduce an 'artificial symmetry group' C-ns(AEM) for an efficient construction of rotation-vibrational basis set of a linear non-symmetric triatomic molecule of the XYZ type. The line lists cover the rotational excitations up to J=160 and the wavenumber range up to 20000 cm(-1). MARVEL energies are also used to improve predicted line positions resulting in excellent agreement with the available experimental spectra, as demonstrated. An extensive comparison with existing line lists for N2O HITRAN, HITEMP, NOSL-296, NOSD-1000, and Ames-296K is provided. The TYM line lists are freely accessible from www.exomol.com.
引用
收藏
页码:1364 / 1375
页数:12
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