AI Article Synopsis
- The reaction of sulfur dioxide (SO2) with water (H2O) leads to the formation of sulfate, but it requires a significant amount of energy to overcome the activation barrier.
- Recent studies suggest that exposure to near UV light can help facilitate this reaction.
- The findings indicate that when SO2 is excited, it quickly reacts with water to produce hydroxyl (OH) and HOSO radicals, offering potential for future technological applications in reactions involving similar compounds.
Article 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.
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| http://dx.doi.org/10.1039/c9cp01105f | DOI Listing |
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