The atmospheric impact of the reaction of N2O with NO3: A theoretical study
Résumé
The reaction of N2O with NO3 is studied for the first time using high-level quantum chemical calculations, followed by statistical rate coefficient estimations. Two reaction pathways giving NO2+N2+O2 and NO2+2NO have been explored. The formation of NO2+N2+O2 is exothermic by 30 kcal mol−1 while that of NO2+2NO is endothermic by 13 kcal mol−1. Both mechanisms have significant reaction barriers, and the reaction rate constants are very low: about 6×10–43 cm3 s−1 at 298 K. Therefore, this reaction is not expected to affect the lifetime of N2O in the atmosphere.
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