HOx radical regeneration in the oxidation of isoprene

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

doi:10.1039/B908511D

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HO_x radical regeneration in the oxidation of isoprene†

J. Peeters,*^a T. L. Nguyen ‡^a and L. Vereecken^a

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* Corresponding authors

^a Department of Chemistry, K.U. Leuven, Celestijnenlaan 200F, Leuven, Belgium
E-mail: Jozef.Peeters@chem.kuleuven.be
Fax: +32 (0)16 327992

Abstract

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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Supplementary files

Figures and Tables of selected quantum chemical data, andsome additional details on the theoretical work PDF (569K)

Article information

DOI: https://doi.org/10.1039/B908511D
Article type: Communication
Submitted: 29 Apr 2009
Accepted: 26 May 2009
First published: 05 Jun 2009

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

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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 DOI: 10.1039/B908511D

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