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dc.contributor.authorFrandsen, Benjamin N.en_NZ
dc.contributor.authorFarahani, Saraen_NZ
dc.contributor.authorVogt, Emilen_NZ
dc.contributor.authorLane, Joseph R.en_NZ
dc.contributor.authorKjaergaard, Henrik G.en_NZ
dc.coverage.spatialUnited Statesen_NZ
dc.date.accessioned2020-09-17T03:14:04Z
dc.date.available2020-09-17T03:14:04Z
dc.date.issued2020en_NZ
dc.identifier.citationFrandsen, B. N., Farahani, S., Vogt, E., Lane, J. R., & Kjaergaard, H. G. (2020). Spectroscopy of OSSO and other sulfur compounds thought to be present in the Venus atmosphere. Journal of Physical Chemistry A, 124(35), 7047–7059. https://doi.org/10.1021/acs.jpca.0c04388en
dc.identifier.urihttps://hdl.handle.net/10289/13834
dc.description.abstractThe 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.en_NZ
dc.format.mimetypeapplication/pdf
dc.language.isoengen_NZ
dc.publisherACS Publications
dc.subjectKinetic parameters
dc.subjectAbsorption
dc.subjectMolecular structure
dc.subjectChemical calculations
dc.subjectEnergy levels
dc.titleSpectroscopy of OSSO and other sulfur compounds thought to be present in the Venus atmosphere.en_NZ
dc.typeJournal Article
dc.identifier.doi10.1021/acs.jpca.0c04388en_NZ
dc.relation.isPartOfJournal of Physical Chemistry Aen_NZ
pubs.begin-page7047
pubs.elements-id257031
pubs.end-page7059
pubs.issue35en_NZ
pubs.publication-statusPublisheden_NZ
pubs.volume124en_NZ
dc.identifier.eissn1520-5215en_NZ


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