Document detail
ID

oai:arXiv.org:2409.19447

Topic
Astrophysics - Earth and Planetary... Astrophysics - Solar and Stellar A... Physics - Chemical Physics
Author
Yurchenko, Sergei N. Mellor, Thomas M. Tennyson, Jonathan
Category

sciences: astrophysics

Year

2024

listing date

10/2/2024

Keywords
line lists astrophysics
Metrics

Abstract

New hot line lists for five isotopologues of N$_2$O are presented, for the parent $^{14}$N$_2^{16}$O and 4 singly substituted species $^{14}$N$_2^{17}$O, $^{14}$N$_2^{18}$O, $^{14}$N$^{15}$N$^{16}$O and $^{15}$N$^{14}$N$^{16}$O.

The line lists have been computed with the variational program TROVE using a new empirical potential energy surface (PES) and an accurate ab initio dipole moment surface of N$_2$O Ames-1.

The PES was obtained by fitting to experimentally derived energies of N$_2$O compiled using the well established MARVEL procedure.

Here we also introduce an `artificial symmetry group' $C_{\rm ns}$(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 N$_2$O HITRAN, HITEMP, NOSL-296, NOSD-1000 and Ames-296K is provided.

The line lists are freely accessible from www.exomol.com.

Yurchenko, Sergei N.,Mellor, Thomas M.,Tennyson, Jonathan, 2024, ExoMol line lists -- LIX. High-temperature line list for N$_2$O

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