ExoMol line lists -- LIX. High-temperature line list for N$_2$O
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 us...
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Zusammenfassung: | 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. |
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DOI: | 10.48550/arxiv.2409.19447 |