Ammonolysis of Glyoxal at the Air‐Water Nanodroplet Interface
Zegang Dong,
Joseph S. Francisco,
Bo Long
Abstract:The reactions of glyoxal (CHO)2) with amines in cloud processes contribute to the formation of brown carbon and oligomer particles in the atmosphere. However, their molecular mechanisms remain unknown. Herein, we investigate the ammonolysis mechanisms of glyoxal with amines at the air‐water nanodroplet interface. We identified three and two distinct pathways for the ammonolysis of glyoxal with dimethylamine and methylamine by using metadynamics simulations at the air‐water nanodroplet interface, respectively. … Show more
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