Owens, Alec; Yurchenko, Sergei N; Tennyson, Jonathan; (2024) ExoMol line lists – LVIII. High-temperature molecular line list of carbonyl sulphide (OCS). Monthly Notices of the Royal Astronomical Society , 530 (4) pp. 4004-4015. 10.1093/mnras/stae1110. (In press).

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Abstract

A new molecular line list covering wavelengths λ > 1 μm (the 0–10 000 cm⁻¹ range) for the main isotopologue of carbonyl sulphide ¹⁶O¹²C³²S is presented. The OCS line list, named OYT8, contains almost 2.5 billion transitions between 2.4 million rotation-vibration energy levels with the total angular momentum up to J = 223. It is suitable for high-temperature environments up to T = 2000 K. Line list calculations were performed with the variational nuclear motion code TROVE in conjunction with a highly accurate, empirically refined potential energy surface and a newly computed ab initio dipole moment surface of OCS. The OYT8 line list is adapted for high-resolution applications by replacing computed energy levels with empirically derived values of OCS where available. Comparisons of the OYT8 line list with other OCS line lists and spectra yields excellent agreement for both strong and weak spectroscopic bands. The increased coverage of the OYT8 line list and the many new spectral features that are available will greatly facilitate the future observation of OCS on exoplanets. Carbonyl sulphide joins a growing number of sulphur-bearing molecules available from the ExoMol database. The OYT8 line list along with the associated temperature- and pressure-dependent molecular opacities can be downloaded from www.exomol.com and the CDS astronomical database.

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