Affiliation:
1. Department of Physics and Astronomy, University College London , Gower Street, London WC1E 6BT, UK
Abstract
ABSTRACT
A comprehensive rotation–vibration (ro–vibrational) line list of thioformaldehyde (1H212C32S) that is applicable for elevated temperatures (${2000}{\, \mathrm{K}}$) is presented. The new MOTY line list covers the 0–8000 cm−1 range (wavelengths $\lambda \gt {1.3}{\, \mu \mathrm{m}})$ and contains around 43.5 billion transitions between 52.3 million states with rotational excitation up to J = 120. Line list calculations utilize a newly determined empirically refined potential energy surface (PES) – the most accurate H2CS PES to date – a previously published high-level ab initio dipole moment surface, and the use of an exact kinetic energy operator for solving the ro–vibrational Schrödinger equation. Post-processing of the MOTY line list is performed by replacing calculated energy levels with empirically derived values, vastly improving the accuracy of predicted line positions in certain spectral windows and making the line list suitable for high-resolution applications. The MOTY line list is available from the ExoMol data base at www.exomol.com and the CDS astronomical data base.
Funder
STFC
BEIS
European Research Council
Publisher
Oxford University Press (OUP)
Subject
Space and Planetary Science,Astronomy and Astrophysics
Cited by
3 articles.
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