Heterogeneous reactions important in atmospheric ozone depletion: a theoretical perspective.
Theoretical studies of the mechanisms of several heterogeneous reactions involving ClONO(2), H(2)O, HCl, HBr, and H(2)SO(4) 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.
Bianco
Roberto
R
Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215, USA. roberto.bianco@colorado.edu
Hynes
James T
JT
D000336:Aerosols / Q000737:chemistry; D000390:Air Ionization; D000393:Air Pollutants / Q000737:chemistry; D000864:Antarctic Regions; D001272:Atmosphere / Q000737:chemistry*; D006868:Hydrolysis; D008958:Models, Molecular; D008962:Models, Theoretical; D017942:Nitric Acid / Q000737:chemistry; D010126:Ozone / Q000737:chemistry / Q000378:metabolism*
D000336:Aerosols; D000393:Air Pollutants; D017942:Nitric Acid; D010126:Ozone