About 25% of the sulfur released to atmosphere corresponds to DMS. Once there, it participates in numerous chemical reactions in which it becomes H2SO4 and oxysulfur compounds. Its oxidation, widely studied, still has some intermediates to be characterized,  as CH3SCH2O and CH3SCH2OO. We present here a theoretical molecular and thermochemical study of them, using DFT and ab-initio methods, and two different approaches: by total atomization energies and isodesmic and isogyric reactions.

Theoretical thermochemical analysis of CH3SCH2O and CH3SCH2OO radicals, atmospheric oxidation products of DMS

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LatinXChem 2021

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