ISOMERS OF $SO_{2}$: INFRARED ABSORPTION OF SOO IN SOLID AR
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Date
1996
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Ohio State University
Abstract
Sulfur dioxide ($SO_{2}$) isolated in solid argon at 12K was irradiated with light at 193 nm from an ArF excimer laser. Preliminary results show that new absorption lines observed at 1006.1 and $739.9 cm^{-1}$ are assigned to sulfur superoxide (SOO). Theoretical calculations using the B3-LYP/cc-pVTZ density functional method were carried out for SOO and cyclic $SO_{2}^{-}$; predicted vibrational wavenumbers are (1079,763, and 472) and (1009, 739, and 682) $cm^{-1}$, respectively. Although observed wavenumbers fit better with those predicted for cyclic $SO_{2}$, the observed relative IR intensities and O-18 isotopic shifts are in excellent agreement with those predicted for SOO.
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Author Institution: Department of Chemistry, National Tsing Hua University