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Understanding the oxidation mechanism of methanesulfinic acid by ozone in the atmosphere.

ABSTRACT: Methanesulfinic acid (MSIA) is an important intermediate in the oxidation of dimethyl sulfide (DMS) in the marine boundary layer. The oxidation of MSIA by ozone in the gas phase to form methanesulfonic acid (MSA) was investigated using theoretical calculations in this paper. Three pathways can be found for the reaction of MSIA with ozone. The highest energy barrier is 13.02?kcal?mol^-1 in the most favorable pathway. By comparing the reaction rate of MSIA?+?O₃ with that of MSIA?+?OH, it can be concluded that the oxidation of MSIA by O₃ to form MSA is of minor significance relative to its oxidation by OH radical in the gas phase. This study can provide some information for the theoretical and experimental studies in the significantly heterogeneous and aqueous-phase oxidation of MSIA by O₃.

SUBMITTER: Lv G

PROVIDER: S-EPMC6344471 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature

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Understanding the oxidation mechanism of methanesulfinic acid by ozone in the atmosphere.

Lv Guochun G Zhang Chenxi C Sun Xiaomin X

Scientific reports 20190123 1

Methanesulfinic acid (MSIA) is an important intermediate in the oxidation of dimethyl sulfide (DMS) in the marine boundary layer. The oxidation of MSIA by ozone in the gas phase to form methanesulfonic acid (MSA) was investigated using theoretical calculations in this paper. Three pathways can be found for the reaction of MSIA with ozone. The highest energy barrier is 13.02 kcal mol<sup>-1</sup> in the most favorable pathway. By comparing the reaction rate of MSIA + O<sub>3</sub> with that of MS ...[more]

PMID: 30674895

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Understanding the oxidation mechanism of methanesulfinic acid by ozone in the atmosphere.

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Understanding the oxidation mechanism of methanesulfinic acid by ozone in the atmosphere.

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