Glyoxal is one of the two most common di-aldehydes found in clouds, dew, and fogwater and contributes to secondary organic aerosol (SOA) formation in the troposphere. Amines and amino acids are also commonly found in the atmosphere and can react with glyoxal. Our current study aims to outline the reaction pathways of glyoxal with methylamine and glycine. Our calculations suggest that formation of a di-imine intermediate followed by the addition of another C-1 or C-2 species leads to the imidazole ring structure. Through determination of the most thermodynamically  and kinetically favored pathways, we hope to further characterize the complex mechanisms contributing to SOA formation.

Reaction of glyoxal and amines to form imidazoles: A computational study

239th National Meeting (2010)

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