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Issue 19, 2019
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Triplet state promoted reaction of SO2 with H2O by competition between proton coupled electron transfer (pcet) and hydrogen atom transfer (hat) processes

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Abstract

The SO2 + H2O reaction is proposed to be the starting process for the oxidation of sulfur dioxide to sulfate in liquid water, although the thermal reaction displays a high activation barrier. Recent studies have suggested that the reaction can be promoted by light absorption in the near UV. We report ab initio calculations showing that the SO2 excited triplet state is unstable in water, as it immediately reacts with H2O through a water-assisted proton coupled electron transfer mechanism forming OH and HOSO radicals. The work provides new insights for a general class of excited-state promoted reactions of related YXY compounds with water, where Y is a chalcogen atom and X is either an atom or a functional group, which opens up interesting chemical perspectives in technological applications of photoinduced H-transfer.

Graphical abstract: Triplet state promoted reaction of SO2 with H2O by competition between proton coupled electron transfer (pcet) and hydrogen atom transfer (hat) processes

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Publication details

The article was received on 25 Feb 2019, accepted on 16 Apr 2019 and first published on 23 Apr 2019


Article type: Paper
DOI: 10.1039/C9CP01105F
Phys. Chem. Chem. Phys., 2019,21, 9779-9784
  • Open access: Creative Commons BY-NC license
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    Triplet state promoted reaction of SO2 with H2O by competition between proton coupled electron transfer (pcet) and hydrogen atom transfer (hat) processes

    J. M. Anglada, M. T. C. Martins-Costa, J. S. Francisco and M. F. Ruiz-López, Phys. Chem. Chem. Phys., 2019, 21, 9779
    DOI: 10.1039/C9CP01105F

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