Unimolecular reaction chemistry of a charge-tagged beta-hydroxyperoxyl radical

S So; BB Kirk; AJ Trevitt; U Wille; SJ Blanksby; G da Silva

Journal article

Unimolecular reaction chemistry of a charge-tagged beta-hydroxyperoxyl radical

S So, BB Kirk, AJ Trevitt, U Wille, SJ Blanksby, G da Silva

Physical Chemistry Chemical Physics | Published : 2014

DOI: 10.1039/c4cp02981j

Abstract

β-Hydroxyperoxyl radicals are formed during atmospheric oxidation of unsaturated volatile organic compounds such as isoprene. They are intermediates in the combustion of alcohols. In these environments the unimolecular isomerization and decomposition of β-hydroxyperoxyl radicals may be of importance, either through chemical or thermal activation. We have used ion-trap mass spectrometry to generate the distonic charge-tagged β-hydroxyalkyl radical anion, .CH2C(OH)(CH3)CH2C(O)O-, and investigated its subsequent reaction with O2 in the gas phase under conditions that are devoid of complicating radical-radical reactions. Quantum chemical calculations and master equation/RRKM theory modeling are ..

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University of Melbourne Researchers

Uta Wille Author

Gabriel da Silva Author

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Awarded by Australian Research Council

Awarded by Centre of Excellence Grant

Awarded by Future Fellowship

Funding Acknowledgements

The authors are grateful to the Australian Research Council for funding through the Discovery Project (DP110103889 [GdS], DP140101237 [SJB], DP130100862 [AJT & GdS]), Centre of Excellence Grant (CE0561607 [SJB]) and Future Fellowship (FT130101304 [GdS]) schemes.