The Atmospheric Reaction between DMSO and the Chlorine Radical

The reaction between dimethyl sulfoxide (DMSO) and chlorine was studied theoretically, using ab initio calculation in a high correlated level. A systematic study of reaction paths was conducted to address the role of the (CH 3 ) 2 SO−Cl adduct formation. The channels that lead to CH 3 SOCH 2 + HCl and CH 3 SOCl + CH 3 will be relevant, and the global atmospheric rate constant was determined to be 1.2 × 10 -10 cm 3 molecule -1 s -1, at 298.15 K and 1 atm. The atmospheric implications of this reaction to DMSO chemistry also are discussed.