Spectroscopy of OSSO and Other Sulfur Compounds Thought to be Present in the Venus Atmosphere

The spectroscopy of cis-OSSO and trans-OSSO is explored and put into the context of the Venusian atmosphere, along with other sulfur compounds potentially present there, namely, S2O, C1-S2O2, trigonal-S2O2, and S3. UV–vis spectra were calculated using the nuclear ensemble approach. The calculated OS...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2020-09, Vol.124 (35), p.7047-7059
Hauptverfasser: Frandsen, Benjamin N, Farahani, Sara, Vogt, Emil, Lane, Joseph R, Kjaergaard, Henrik G
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Sprache:eng
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Zusammenfassung:The spectroscopy of cis-OSSO and trans-OSSO is explored and put into the context of the Venusian atmosphere, along with other sulfur compounds potentially present there, namely, S2O, C1-S2O2, trigonal-S2O2, and S3. UV–vis spectra were calculated using the nuclear ensemble approach. The calculated OSSO spectra are shown to match well with the 320–400 nm near-UV absorption previously measured on Venus, and we discuss the challenges of assigning OSSO as the Venusian near-UV absorber. The largest source of uncertainty is getting accurate concentrations of sulfur monoxide (3SO) in the upper cloud layer of Venus (60–70 km altitude) since the 3SO self-reaction is what causes cis- and trans-OSSO to form. Additionally, we employed the matrix-isolation technique to trap OSSO formed by microwave discharging a gas mixture of argon and SO2 and then depositing the mixture onto a cold window (6–12 K). Anharmonic vibrational transition frequencies and intensities were calculated at the coupled cluster level to corroborate the matrix-isolation FTIR spectra. The computationally calculated UV–vis and experimentally recorded IR spectra presented in this work aid future attempts at detecting these sulfur compounds in the Venusian atmosphere.
ISSN:1089-5639
1520-5215
DOI:10.1021/acs.jpca.0c04388