Atmospheric formation of OH radicals and H2O2 from alkene ozonolysis under humid conditions

Abstract

The formation of OH radicals in the atmosphere as a result of the reaction of substituted carbonyl oxides with water was investigated by means of high-level theoretical methods. The reaction between carbonyl oxide with water produces mainly α-hydroxy hydroperoxide but up to 5% of OH radicals may be formed when the carbonyl oxide has a hydrogen atom in the β position. Vibrationally excited α-hydroxy hydroperoxide may decompose to produce OH radicals or become collisionally stabilized and react with a water molecule to produce H2O2 (see Scheme).