Issue 38, 2007
From the journal:

Physical Chemistry Chemical Physics

Low-volatility poly-oxygenates in the OH-initiated atmospheric oxidation of α-pinene: impact of non-traditional peroxyl radical chemistry

L. Vereecken,*a   J.-F. Müllerb  and  J. Peeters*a  

* Corresponding authors

a University of Leuven, Department of Chemistry, Celestijnenlaan 200F, Leuven, Belgium
E-mail: Luc.Vereecken@chem.kuleuven.be, Jozef.Peeters@chem.kuleuven.be

b Belgian Institute for Space Aeronomy, Avenue Circulaire 4, Brussels, Belgium

Abstract

Following new insights on non-traditional peroxyl radical chemistry, we present an update to our earlier OH-initiated α-pinene degradation mechanism (Peeters et al., Phys. Chem. Chem. Phys., 2001, 3, 5489), incorporating ring closure reactions and a fast H-shift isomerization in certain key peroxyl and oxy radical intermediates. These changes, affecting only a single branch of the comprehensive mechanism and based on extensive quantum-chemical and theoretical kinetic calculations, show significant formation, ∼20% overall, of poly-oxygenated (hydro)peroxides in atmospheric conditions. These low-volatility compounds are expected to have a significant impact on aerosol formation, and are believed to be the high-mass product compounds observed in available experimental work. The proposed changes also affect the predicted acetone yield, matching the experimental data closely.

Graphical abstract: Low-volatility poly-oxygenates in the OH-initiated atmospheric oxidation of α-pinene: impact of non-traditional peroxyl radical chemistry

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Article information

DOI
https://doi.org/10.1039/B708023A
Article type
Paper
Submitted
29 May 2007
Accepted
23 Jul 2007
First published
02 Aug 2007

Phys. Chem. Chem. Phys., 2007,9, 5241-5248

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Low-volatility poly-oxygenates in the OH-initiated atmospheric oxidation of α-pinene: impact of non-traditional peroxyl radical chemistry

L. Vereecken, J.-F. Müller and J. Peeters, Phys. Chem. Chem. Phys., 2007, 9, 5241 DOI: 10.1039/B708023A

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