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      Spectroscopy of OSSO and other sulfur compounds thought to be present in the Venus atmosphere.

      Frandsen, Benjamin N.; Farahani, Sara; Vogt, Emil; Lane, Joseph R.; Kjaergaard, Henrik G.
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      Spectroscopy of OSSO and other sulfur compounds thought to be present in the Venus atmosphere.pdf
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      DOI
       10.1021/acs.jpca.0c04388
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      Frandsen, 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.0c04388
      Permanent Research Commons link: https://hdl.handle.net/10289/13834
      Abstract
      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.
      Date
      2020
      Type
      Journal Article
      Publisher
      ACS Publications
      Collections
      • Science and Engineering Papers [3119]
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