Gas-Phase Ozone Reaction Kinetics of C-5-C-8 Unsaturated Alcohols of Biogenic Interest

Autor: Asma Grira, Cornelia Amarandei, Claudiu Roman, Oumaya Bejaoui, Nouha Aloui, Gisèle El Dib, Cecilia Arsene, Iustinian G. Bejan, Romeo I. Olariu, André Canosa, Alexandre Tomas
Přispěvatelé: Ecole nationale supérieure Mines-Télécom Lille Douai (IMT Nord Europe), Institut Mines-Télécom [Paris] (IMT), Centre for Energy and Environment (CERI EE - IMT Nord Europe), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT), Universitatea Alexandru Ioan Cuza [Lasi], Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), French ANR Agency [ANR-11-LabX-0005-01], Ministere de Enseignement Suprieur et de Recherche (CPER Climibio), European Fund for Regional Economic Development, IMT Nord Europe, European Union's Horizon 2020 Research and Innovation Framework Program [127324], PHC Brancusi program [730997], Atmospheric Aerosol Investigation in Romania (RECENT AIR) project [POC/448/1/1, 38385UD], ANR-11-LABX-0005,Cappa,Physiques et Chimie de l'Environnement Atmosphérique(2011)
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Journal of Physical Chemistry A
Journal of Physical Chemistry A, 2022, 126 (27), pp.4413-4423. ⟨10.1021/acs.jpca.2c02805⟩
ISSN: 1089-5639
1520-5215
Popis: International audience; 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 coeflicients 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 coeflicients (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 coeflicients (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 coeflicients show a strong and complex dependence on the structure of the alkenol, particularly the relative position of the OH group toward the C=C double bond. The results are discussed and compared to both the available literature data and four structure-activity relationship (SAR) methods.
Databáze: OpenAIRE
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