ExoMol line lists II: The ro-vibrational spectrum of SiO

TL;DR

This paper presents comprehensive rotation-vibration line lists for silicon monoxide isotopologues, combining empirical data and ab initio calculations to support high-temperature astrophysical applications.

Contribution

It provides the first high-accuracy, extensive line lists for multiple SiO isotopologues, suitable for modeling exoplanetary atmospheres and stellar environments.

Findings

Line lists cover temperatures up to 9000 K.

High-accuracy potential energy and dipole moment curves are used.

Data is publicly available for research use.

Abstract

Accurate rotation-vibration line lists are calculated for silicon monoxide. Line lists are presented for the main isotopologue, $^{28}$Si$^{16}$O, and for four monosubsituted isotopologues ($^{29}$Si$^{16}$O, $^{30}$Si$^{16}$O, $^{28}$Si$^{18}$O and $^{28}$Si$^{17}$O), in their ground electronic states. These line lists are suitable for high temperatures (up to 9000 K) including those relevant to exoplanetary atmospheres and cool stars. A combination of empirical and \textit{ab initio} methods is used: the potential energy curves are determined to high accuracy by fitting to extensive data from the analysis of both laboratory and sunspot spectra; a high quality {\it ab initio} dipole moment curve is calculated at the large basis set, multi-reference configuration interaction level. A partition function plus full line lists of rotation-vibration transitions are made available in an electronic form as supplementary data to this article and at \url{www.exomol.com}.