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

Asma Grira (1, 2) , Cornelia Amarandei (3) , Claudiu Roman (3) , Oumaya Bejaoui (1, 2) , Nouha Aloui (1, 2) , Gisele El Dib (4) , Cecilia Arsene (3) , Iustinian G. Bejan (3) , Romeo I. Olariu (3) , André Canosa (4) , Alexandre Tomas (1, 2)

1 IMT Nord Europe - Ecole nationale supérieure Mines-Télécom Lille Douai
2 CERI EE - IMT Nord Europe - Centre for Energy and Environment
3 UAIC - Alexandru Ioan Cuza University of Iași = Universitatea Alexandru Ioan Cuza din Iași
4 IPR - Institut de Physique de Rennes

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.

Mots clés: absolute kinetic method; relative kinetic method; Structure Activity Relationship (SAR) approaches; unsaturated alcohols; Green Leaf Volatile (GLV); ozonolysis; Molecular physics

Domaines: Physique [physics]

Asma Grira, Cornelia Amarandei, Claudiu Roman, Oumaya Bejaoui, Nouha Aloui, et al.. Gas-Phase Ozone Reaction Kinetics of C-5-C-8 Unsaturated Alcohols of Biogenic Interest. Journal of Physical Chemistry A, 2022, 126 (27), pp.4413-4423. ⟨10.1021/acs.jpca.2c02805⟩. ⟨hal-03772466⟩