Reactivity of Atmospherically Relevant Small Radicals at the Air–Water Interface

Abstract

A fish out of water: The chemical properties at the air–water interface of the atmospherically important free radicals HO2. and O2.− were investigated by means of computer simulations. Acidity, HOMO–LUMO gap, and redox potentials differ from both the bulk and also the gas phase. These findings are significant for HO2. chemistry and aerosol and cloud chemistry.