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J Phys Chem A

Title:		Gas-Phase Ozone Reaction Kinetics of C(5)-C(8) Unsaturated Alcohols of Biogenic Interest
Author(s):		Grira A; Amarandei C; Roman C; Bejaoui O; Aloui N; El Dib G; Arsene C; Bejan IG; Olariu RI; Canosa A; Tomas A;
Address:		"Center for Energy and Environment, IMT Nord Europe, Institut Mines-Telecom, Universite de Lille, Lille 59000, France. Faculty of Chemistry, Department of Chemistry, 'Alexandru Ioan Cuza' University of Iasi, 11 Carol I, Iasi 700506, Romania. Integrated Centre of Environmental Science Studies in the North Eastern Region, 'Alexandru Ioan Cuza' University of Iasi, 11 Carol I, Iasi 700506, Romania. UMR 6251, Universite de Rennes, CNRS, Institut de Physique de Rennes, Rennes F-35000, France"
Journal Title:		J Phys Chem A
Year:		2022
Volume:		20220701
Issue:		27
Page Number:		4413 - 4423
DOI:		10.1021/acs.jpca.2c02805
ISSN/ISBN:		1520-5215 (Electronic) 1089-5639 (Linking)
Abstract:		"Unsaturated alcohols are volatile organic compounds (VOCs) that characterize the emissions of plants. Changes in climate together with related increases of biotic and abiotic stresses are expected to increase these emissions in the future. Ozonolysis is one of the oxidation pathways that control the fate of unsaturated alcohols in the atmosphere. The rate coefficients of the gas-phase O(3) reaction with seven C(5)-C(8) unsaturated alcohols were determined at 296 K using both absolute and relative kinetic methods. The following rate coefficients (cm(3) molecule(-1) s(-1)) were obtained using the absolute method: (1.1 +/- 0.2) x 10(-16) for cis-2-penten-1-ol, (1.2 +/- 0.2) x 10(-16) for trans-2-hexen-1-ol, (6.4 +/- 1.0) x 10(-17) for trans-3-hexen-1-ol, (5.8 +/- 0.9) x 10(-17) for cis-3-hexen-1-ol, (2.0 +/- 0.3) x 10(-17) for 1-octen-3-ol, and (8.4 +/- 1.3) x 10(-17) for trans-2-octen-1-ol. The following rate coefficients (cm(3) molecule(-1) s(-1)) were obtained using the relative method: (1.27 +/- 0.11) x 10(-16) for trans-2-hexen-1-ol, (5.01 +/- 0.30) x 10(-17) for trans-3-hexen-1-ol, (4.13 +/- 0.34) x 10(-17) for cis-3-hexen-1-ol, and (1.40 +/- 0.12) x 10(-16) for trans-4-hexen-1-ol. Alkenols display high reactivities with ozone with lifetimes in the hour range. Rate coefficients show a strong and complex dependence on the structure of the alkenol, particularly the relative position of the OH group toward the C horizontal lineC double bond. The results are discussed and compared to both the available literature data and four structure-activity relationship (SAR) methods"
Keywords:		*Alcohols/chemistry Atmosphere/chemistry Hydroxyl Radical/chemistry Kinetics *Ozone/chemistry;
Notes:		"MedlineGrira, Asma Amarandei, Cornelia Roman, Claudiu Bejaoui, Oumaya Aloui, Nouha El Dib, Gisele Arsene, Cecilia Bejan, Iustinian G Olariu, Romeo I Canosa, Andre Tomas, Alexandre eng 2022/07/02 J Phys Chem A. 2022 Jul 14; 126(27):4413-4423. doi: 10.1021/acs.jpca.2c02805. Epub 2022 Jul 1"