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Volume 20, issue 14
Atmos. Chem. Phys., 20, 8939–8951, 2020
https://doi.org/10.5194/acp-20-8939-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
Atmos. Chem. Phys., 20, 8939–8951, 2020
https://doi.org/10.5194/acp-20-8939-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.

Research article 29 Jul 2020

Research article | 29 Jul 2020

Atmospheric fate of two relevant unsaturated ketoethers: kinetics, products and mechanisms for the reaction of hydroxyl radicals with (E)-4-methoxy-3-buten-2-one and (1E)-1-methoxy-2-methyl-1-penten-3-one

Rodrigo Gastón Gibilisco1, Ian Barnes1,, Iustinian Gabriel Bejan2,3, and Peter Wiesen1 Rodrigo Gastón Gibilisco et al.
  • 1Institute for Atmospheric and Environmental Research, Bergische Universität Wuppertal, 42097 Wuppertal, Germany
  • 2Faculty of Chemistry, Department of Chemistry, Alexandru Ioan Cuza University of Iasi, 11 Carol I, Iasi 700506, Romania
  • 3Integrated Centre of Environmental Science Studies in the North Eastern Region, Alexandru Ioan Cuza University of Iasi, 11 Carol I, Iasi 700506, Romania
  • deceased, on 1 January 2018

Abstract. The kinetics of the gas phase reactions of hydroxyl radicals with two unsaturated ketoethers (UKEs) at (298±3) K and 1 atm of synthetic air have been studied for the first time using the relative-rate technique in an environmental reaction chamber by in situ Fourier-transform infrared spectroscopy (FTIR). The rate coefficients obtained using propene and isobutene as reference compounds were (in units of 10−10 cm3 molecule−1 s−1) as follows: kTMBO (OH + (E)-4-methoxy-3-buten-2-one)  =  (1.41±0.11) and kMMPO (OH + (1E)-1-methoxy-2-methyl-1-penten-3-one)  =  (3.34±0.43). In addition, quantification of the main oxidation products in the presence of NOx has been performed, and degradation mechanisms for these reactions were developed. Methyl formate, methyl glyoxal, peroxyacetyl nitrate (PAN) and peroxypropionyl nitrate (PPN) were identified as main reaction products and quantified for both reactions. The results of the present study provide new insights regarding the contribution of these multifunctional volatile organic compounds (VOCs) in the generation of secondary organic aerosols (SOAs) and long-lived nitrogen containing compounds in the atmosphere. Atmospheric lifetimes and implications are discussed in light of the obtained results.

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Environmental chamber studies were performed to evaluate atmospheric degradation initiated by OH radicals for two unsaturated methoxy ketones. The main gas-phase oxidation products identified and quantified from these reactions are carbonyls and long-lived nitrogen-containing compounds such as peroxyacetyl nitrate and peroxypropionyl nitrate. The kinetic rate constants and atmospheric lifetimes were estimated, degradation mechanisms were developed, and atmospheric implications were assessed.
Environmental chamber studies were performed to evaluate atmospheric degradation initiated by OH...
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