ExoMol molecular line lists - XVII The rotation-vibration spectrum of hot SO$_3$

TL;DR

This paper presents a comprehensive variational line list for hot SO$_3$, containing 21 billion transitions, enabling accurate modeling of its infrared spectra at high temperatures for atmospheric and industrial applications.

Contribution

The creation of the UYT2 line list for SO$_3$, with 21 billion transitions, is a significant advancement for spectral modeling of this molecule at elevated temperatures.

Findings

UYT2 accurately models SO$_3$ infrared spectra up to 800 K.

Line intensities scaled to match experimental cross sections.

Line list is publicly available for research and industrial use.

Abstract

Sulphur trioxide (SO$_3$) is a trace species in the atmospheres of the Earth and Venus, as well as well as being an industrial product and an environmental pollutant. A variational line list for $^{32}$S$^{16}$O$_{3}$, named UYT2, is presented containing 21 billion vibration-rotation transitions. UYT2 can be used to model infrared spectra of SO$_3$ at wavelengths longwards of 2 $\mu$m ($\nu < 5000$ cm$^{-1}$) for temperatures up to 800 K. Infrared absorption cross sections are also recorded at 300 and 500 C are used to validate the UYT2 line list. The intensities in UYT2 are scaled to match the measured cross sections. The line list is made available in electronic form as supplementary data to this article and at \url{www.exomol.com}.