Heterogeneous reactions important in atmospheric ozone depletion: A theoretical perspective

Theoretical studies of the mechanisms of several heterogeneous reactions involving CIONO2, H2O, HCl, HBr, and H2SO4 important in atmospheric ozone depletion are described, focused primarily on reactions on aqueous aerosol surfaces. Among the insights obtained is the active chemical participation of the surface water molecules in several of these reactions. The general methodology adopted allows reduction of these complex chemical problems to meaningful model systems amenable to quantum chemical calculations.