ExoMol line lists -- LIX. High-temperature line list for N${}_2$O

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' $C_{\mathrm{ns}}$(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.

References in corpus (8)

• petitRADTRANS: a Python radiative transfer package for exoplanet characterization and retrieval
• ExoMol line lists -- XXXIX. Ro-vibrational molecular line list for CO${}_2$
• Spectroscopic line parameters of NO, NO${}_2$, and N${}_2$O for the HITEMP database
• The ARCiS framework for Exoplanet Atmospheres: Modelling Philosophy and Retrieval
• Symmetry adapted ro-vibrational basis functions for variational nuclear motion calculations: TROVE approach
• A Review of Exoplanetary Biosignatures
• ExoMol line lists XV: A new hot line list for hydrogen peroxide
• Evaluating the Plausible Range of N2O Biosignatures on Exo-Earths: An Integrated Biogeochemical, Photochemical, and Spectral Modeling Approach