| THE GROUND-STATE OF PROTONATED CARBONYL SULFIDE, $HOCS^{-}$ or $OCSH^{-}$? (1996) | |||||||||
Abstract | |||||||||
| Author Institution: Department of Chemistry, Mississippi State University. Ab initio calculation by Searlett and Taylor predicted that S-protonated OCS is more stable than the O-protonated isomer. Experimental evidence appears to contradict this finding. Nakanaga and Amano observed a band of protonated OCS at $3435 cm^{-1}$ and assigned it to the O-H stretching vibration. Although they also searched near $2500 cm^{-1}$, they didn’t observe any spectrum which could be attributed to an S-protonated isomer. We have carried out ab initio calculation at the MP2/6-311G-+(2df,2pd) and QCISD levels and have confirmed the conclusions of Searlett and Taylor. The S-protonated form is predicted to be more than 4 kcal/mol more stable than the O-protonated isomer. This calculation and the results of our experimental search for the S-protonated will be reported. | |||||||||
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