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

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 s...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2012-05, Vol.51 (22), p.5413-5417
Main Authors: Martins-Costa, Marilia T. C., Anglada, Josep M., Francisco, Joseph S., Ruiz-Lopez, Manuel F.
Format: Article
Language:English
Subjects:
Aerosols
atmospheric chemistry
Chemical properties
Computer simulation
Electrode potentials
Fish
Free radicals
Gas phases
hydroperoxide
molecular dynamics
Radicals
superoxide
water droplets
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Summary: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.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201200656