ExoMol molecular line lists XII: Line Lists for 8 isotopologues of CS

TL;DR

This paper provides comprehensive vibration-rotation line lists for eight isotopologues of carbon monosulphide (CS), suitable for high-temperature astrophysical applications up to 3000 K, using a combination of experimental data and ab initio calculations.

Contribution

The paper presents new, extensive line lists for eight CS isotopologues, combining experimental energies with ab initio dipole moments for accurate spectral data.

Findings

Line lists cover temperatures up to 3000 K

Improved accuracy through experimental energy substitution

Data available electronically at ExoMol website

Abstract

Comprehensive vibration-rotation line lists for eight isotopologues of carbon monosulphide (CS) ($^{12}$C$^{32}$S, $^{12}$C$^{33}$S, $^{12}$C$^{34}$S, $^{12}$C$^{36}$S, $^{13}$C$^{32}$S, $^{13}$C$^{33}$S, $^{13}$C$^{34}$S, $^{13}$C$^{36}$S) in their ground electronic states are calculated. These line lists are suitable for temperatures up to 3000 K. A spectroscopically-determined potential energy curve (PEC) and dipole moment curve (DMC) are taken from literature. This PEC is adapted to suit our method prior to the computation of ro-vibrational energies. The calculated energies are then substituted by experimental energies, where available, to improve the accuracy of the line lists. The {\it ab initio} DMC is used without refinement to generate Einstein A coefficients. Full line lists of vibration-rotation transitions and partition functions are made available in an electronic form as supporting information to this paper and at \url{www.exomol.com}.