Effects of Microhydration on the Mechanisms of Hydrolysis and Cl− Substitution in Reactions of N2O5 and Seawater
Laura M. McCaslin, Andreas W. Götz, Mark A. Johnson, R. Benny Gerber The reaction of N2O5 at atmospheric interfaces has recently received considerable attention due to its importance in atmospheric chemistry. N2O5 reacts preferentially with Cl− to form ClNO2/NO3− (Cl− substitution), but can also react with H2O to form 2HNO3 (hydrolysis). In this paper, we explore these competing reactions in a theoretical study of the clusters N2O5/Cl−/nH2O (n=2–5), resulting in the identification of three reaction motifs. First, we uncovered an SN2-type Cl− substitution reaction of N2O5 that occurs… Read More »Effects of Microhydration on the Mechanisms of Hydrolysis and Cl− Substitution in Reactions of N2O5 and Seawater