Abstract
In the present work, we have studied the reaction of N2O with the HO2 radical, employing kinetics and quantum chemical calculations. For quantum chemical calculations, we used the post-CCSD(T) method, which includes corrections from full triple excitations and partial quadratic excitations at the coupled-cluster level, and for the rate calculation we used transition state theory (TST). Quantitatively, our study suggests that after the reaction of N2O with the Criegee intermediate, the N2O + HO2• can be the fastest among the known reactions of N2O with important atmospheric oxidizing agents. In addition, among various known reaction of the N2O, the title reaction is the only hydrogen atom transfer (HAT) reaction of N2O.
Published Version
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