HOx radical regeneration in the oxidation of isoprene

J. Peeters; T. L. Nguyen; L. Vereecken

doi:10.1039/B908511D

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Physical Chemistry Chemical Physics

Issue 28, 2009

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HO_x radical regeneration in the oxidation of isoprene

J. Peeters , T. L. Nguyen and L. Vereecken

Phys. Chem. Chem. Phys., 2009, 11, 5935-5939

DOI: 10.1039/B908511D
Received 29 Apr 2009, Accepted 26 May 2009
First published on the web 05 Jun 2009

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Abstract
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We propose, and quantify from first principles, two novel HO_x-regenerating unimolecular reactions in isoprene oxidation, which are estimated to yield in pristine tropical forest conditions about 0.7 HO₂ and 0.03 OH radicals per isoprene oxidized; it is further argued that the photolabile coproduct of HO₂ can be a major source of OH, with a yield of the order of 1. The newly proposed chemistry could provide a rationalization for the unexpectedly high OH concentrations often observed in forested environments, such as over the Amazon forest in the recent Gabriel campaign.

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Figures and Tables of selected quantum chemical data, andsome additional details on the theoretical work
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Physical Chemistry Chemical Physics

HO_x radical regeneration in the oxidation of isoprene

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