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

被引:25
作者
Frandsen, Benjamin N. [1 ,2 ]
Farahani, Sara [3 ]
Vogt, Emil [1 ]
Lane, Joseph R. [3 ]
Kjaergaard, Henrik G. [1 ]
机构
[1] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen O, Denmark
[2] Univ Colorado, Dept Chem, Boulder, CO 80309 USA
[3] Univ Waikato, Sch Sci, Hamilton 3240, New Zealand
关键词
ISOLATED DISULFUR MONOXIDE; ABSORPTION CROSS-SECTIONS; ANALYTIC 2ND DERIVATIVES; SO2 DISCHARGE SYSTEM; MATRIX-ISOLATION; ULTRAVIOLET ABSORBER; UV ABSORPTION; CHEMICAL-COMPOSITION; PHOTOCHEMICAL MODEL; MICROWAVE-SPECTRUM;
D O I
10.1021/acs.jpca.0c04388
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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, C-1-S2O2, trigonal-S2O2, and S-3. 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 ((SO)-S-3) in the upper cloud layer of Venus (60-70 km altitude) since the (SO)-S-3 self-reaction is what causes cis- and transOSSO 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.
引用
收藏
页码:7047 / 7059
页数:13
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