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. The hydration of SO3 plays an important role in atmosphericsulfuric acid formation. Some atmospheric species can be involved in andfacilitate the reaction. In this work, using quantum chemical calculations,we show that oxalic acid, the most common dicarboxylic acid in theatmosphere, can effectively catalyze the hydration of SO3 . Theenergy barrier of the SO3 hydration reaction catalyzed by oxalic acid(cTt, tTt, tCt and cCt conformers) is a little higher or less than1 kcal mol −1 , which is lower than the energy barrier of5.17 kcal mol −1 for water-catalyzed SO3 hydration. Comparedwith the rates of the SO3 hydration reaction catalyzed by oxalic acidand water, it can be found that in the upper troposphere the OA-catalyzed SO3 hydration can play an important role inpromoting SO3 hydration. It leads us to conclude that theinvolvement of oxalic acid in SO3 hydration to form H2SO4 is significant in the atmosphere.

atmospheric chemistry and physics

Understanding the catalytic role of oxalic acid in SO&amp;lt;sub&amp;gt;3&amp;lt;/sub&amp;gt; hydration to form H&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;SO&amp;lt;sub&amp;gt;4&amp;lt;/sub&amp;gt; in the atmosphere