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Elsevier, Atmospheric Environment, (46), p. 338-345

DOI: 10.1016/j.atmosenv.2011.09.061

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Gas phase reaction of OH radicals with (E)-β-farnesene at 296 ± 2 K: Rate coefficient and carbonyl products

Journal article published in 2012 by Ivan Kourtchev ORCID, Iustinian Bejan, John R. Sodeau, John C. Wenger ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The gas phase reaction of OH radicals with (E)-β-farnesene was investigated in a 3.91 m3 atmospheric simulation chamber at 296 ± 2 K and atmospheric pressure. The relative rate method was used to determine the reaction rate coefficient of (1.71 ± 0.21) × 10−10 cm3 molecule−1 s−1. Gas phase carbonyl products were collected using a denuder sampling technique and analyzed with GC/MS following derivatization with O-(2,3,4,5,6-pentafluorobenzyl) hydroxylamine (PFBHA). The reaction products detected were acetone, 4-oxopentanal, 4-methylenehex-5-enal, 6-methylhept-5-en-2-one and (E)-4-methyl-8-methylenedeca-4,9-dienal. A minor reaction product with MW 112 was tentatively identified as 4-oxohex-5-enal or 2-methylenepentanedial. A mechanism for the OH radical-initiated oxidation of (E)-β-farnesene is proposed, which accounts for all of the products observed in this study. The results of this work indicate that the atmospheric reaction of (E)-β-farnesene with OH radicals has a lifetime of around 1 h and is a potential source of the ubiquitous carbonyls, acetone, 4-oxopentanal and 6-methylhept-5-en-2-one in the atmosphere.