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Kinetic Measurements of Cl Atom Reactions with C5–C8 Unsaturated Alcohols

1
IMT Lille Douai, Univ. Lille, SAGE—Sciences de l’Atmosphère et Génie de l’Environnement, 59000 Lille, France
2
CNRS, IPR (Institut de Physique de Rennes)-UMR 6251, Université de Rennes, F-35000 Rennes, France
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Department of Chemistry, Faculty of Chemistry, 11 Carol I, “Alexandru Ioan Cuza” University of Iasi, 700506 Iasi, Romania
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Integrated Centre of Environmental Science Studies in the North Eastern Region, 11 Carol I, “Alexandru Ioan Cuza” University of Iasi, 700506 Iasi, Romania
*
Authors to whom correspondence should be addressed.
Atmosphere 2020, 11(3), 256; https://doi.org/10.3390/atmos11030256
Received: 6 February 2020 / Revised: 28 February 2020 / Accepted: 29 February 2020 / Published: 4 March 2020
The reactions of five structurally similar unsaturated alcohols, i.e., (Z)-2-penten-1-ol, (E)-2-hexen-1-ol, (E)-3-hexen-1-ol, (Z)-3-hexen-1-ol, and 1-octen-3-ol, with Cl atoms in the gas phase, were investigated at 296 ± 2 K and 1 atm by the relative-rate kinetic technique using a 600-L Teflon reaction chamber. Selected ion flow tube mass spectrometry (SIFT-MS) was used simultaneously to monitor the decay of the alcohols of interest and selected reference compounds. Tetrahydrofuran (THF), propan-1-ol, and octane were used as reference compounds. Chlorine atoms were produced by the photolysis of molecular chlorine (Cl2) using broadband actinic lamps near 365 nm. The estimated rate constant values (in 10−10 cm3∙molecule−1∙s−1) followed the order 2.99 ± 0.53 ((Z)-2-penten-1-ol) < 3.05 ± 0.59 ((E)-3-hexen-1-ol) < 3.15 ± 0.58 ((Z)-3-hexen-1-ol) < 3.41 ± 0.65 ((E)-2-hexen-1-ol) < 4.03 ± 0.77 (1-octen-3-ol). The present work provides the first value of the rate constant for the reaction of 1-octen-3-ol with Cl atoms. The results are discussed and interpreted in relation to other studies where literature data are available. The structure–activity relationship and the atmospheric implications are discussed as well. View Full-Text
Keywords: (Z)-2-penten-1-ol; (E)-2-hexen-1-ol; (E)-3-hexen-1-ol; (Z)-3-hexen-1-ol; 1-octen-3-ol; Cl atoms; kinetics; structure–activity relationship; SIFT-MS (Z)-2-penten-1-ol; (E)-2-hexen-1-ol; (E)-3-hexen-1-ol; (Z)-3-hexen-1-ol; 1-octen-3-ol; Cl atoms; kinetics; structure–activity relationship; SIFT-MS
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Grira, A.; Amarandei, C.; Romanias, M.N.; El Dib, G.; Canosa, A.; Arsene, C.; Bejan, I.G.; Olariu, R.I.; Coddeville, P.; Tomas, A. Kinetic Measurements of Cl Atom Reactions with C5–C8 Unsaturated Alcohols. Atmosphere 2020, 11, 256.

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