Sulfur atom exchange in the reaction of SH radicals with S atoms |
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Authors: | Francisco Joseph S |
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Institution: | Department of Chemistry, Purdue University, West Lafayette, Indiana 47907-2084, USA. |
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Abstract: | The structural and energetic properties of the HSS-->SSH transition state are examined using the single and double coupled-cluster method. The energy change for the isomerization reaction is estimated to be 31.7+/-1 kcal mol(-1). The results suggest that the reaction between SH radicals and S atoms should isotopically exchange because the isomerization barrier is significantly less than the S-S bond dissociation energy in the HSS radical. |
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