| Abstract
| - The mechanism for the atmospheric oxidation of DMSO has been studied. For the first time, all the possiblechannels in the DMSO + OH reaction are studied together theoretically, and their corresponding rate constantshave been evaluated under the variational transition-state formalism. Three different channels have beencharacterized: an addition−elimination process to form MSIA (CH3SOOH) and CH3, a H-abstraction pathwayto give CH3SOCH2 and H2O, and a nonkinetically relevant SN2-type reaction to form methanol and CH3SO.In agreement with previous experimental and theoretical works, the main product in the DMSO + OH reactionturns out to be the MSIA, with a branching ratio at 298.15 K around 97%. The effects of pressure in theglobal rate constant have also been analyzed.
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