Spectroscopic characterization of [H, Cl, S, O] molecular system: Potential candidate for detection in Venus atmosphere

Abstract

Accurate spectroscopic parameters have been obtained for the identification of the [H, Cl, S, O] molecular system in the Venus atmosphere using computational methods. These calculations employed both standard and explicitly correlated coupled cluster techniques. All isomers possess C1 symmetry, with HOSCl being the most stable isomer. Only HOSCl and trigonal-HSOCl isomers are thermodynamically stable relative to the first dissociation limit HCl + SO. Fundamental modes of the lowest three isomers exhibit many anharmonic resonances, resulting in complex spectra. All isomers are found to be stable in the visible region as the calculation of vertical energy transition indicates. No electronic states were found to strongly absorb in the near UV–vis region.