Gas-phase reaction of (E)-β-farnesene with ozone: Rate coefficient and carbonyl products

I. Kourtchev, I. Bejan, J.R. Sodeau, J.C. Wenger

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

The gas-phase ozonolysis of (E)-β-farnesene was investigated in a 3.91 m3 atmospheric simulation chamber at 296 ± 2 K and relative humidity of around 0.1%. The relative rate method was used to determine the reaction rate coefficient of (4.01 ± 0.17) × 10−16 cm3 molecule−1 s−1, where the indicated errors are two least-squares standard deviations and do not include uncertainties in the rate coefficients for the reference compounds (γ-terpinene, cis-cyclooctene and 1,5-cyclooctadiene). 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, methylglyoxal, 4-methylenehex-5-enal, 6-methylhept-5-en-2-one, and (E)-4-methyl-8-methylenedeca-4,9-dienal. A detailed mechanism for the gas-phase ozonolysis 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 ozone has a lifetime of around 1 h and is another possible source of the ubiquitous carbonyls, acetone, 4-oxopentanal and 6-methylhept-5-en-2-one in the atmosphere.

Original languageEnglish
Pages (from-to)3182-3190
Number of pages9
JournalAtmospheric Environment
Volume43
Issue number20
Early online date7 Apr 2009
DOIs
Publication statusPublished - Jun 2009
Externally publishedYes

Keywords

  • Sesquiterpenes
  • (E)-β-farnesene
  • 4-Oxopentanal
  • Ozonolysis
  • Rate coefficient
  • Kinetics

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