The atmospheric impact of the reaction of N2O with NO3: A theoretical study

Abstract : 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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https://hal.archives-ouvertes.fr/hal-02271562
Contributor : Philippe Dagaut <>
Submitted on : Tuesday, August 27, 2019 - 9:25:32 AM
Last modification on : Wednesday, August 28, 2019 - 1:22:45 AM

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Thanh Lam Nguyen, Manolis Romanias, A.R. Ravishankara, Aristotelis Zaras, Philippe Dagaut, et al.. The atmospheric impact of the reaction of N2O with NO3: A theoretical study. Chemical Physics Letters, Elsevier, 2019, 731, pp.136605. ⟨10.1016/j.cplett.2019.136605⟩. ⟨hal-02271562⟩

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