Kinetic Studies of OH and O3 Reactions with Allyl and Isopropenyl Acetate |
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Authors: | S. Le Calvé A. Mellouki G. Le Bras J. Treacy J. Wenger H. Sidebottom |
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Affiliation: | (1) Laboratoire de Combustion et Systèmes Réactifs, CNRS, 1C, Avenue de la recherche scientifique, 45071 Orléans Cedex 2, France;(2) Department of Chemistry, Dublin Institute of Technology, Kevin Steet, Dublin 8, Ireland;(3) Department of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland |
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Abstract: | Rate coefficients have been measured for the gas phasereactions of hydroxyl (OH) radicals and ozone with twounsaturated esters, allyl acetate(CH3C(O)OCH2CH=CH2) and isopropenylacetate (CH3C(O)OC(CH3)=CH2). The OHexperiments were carried out using the pulsed laserphotolysis – laser induced fluorescence technique overthe temperature range 243–372 K and the kinetic dataused to derive the following Arrhenius expressions (inunits of cm3 molecule-1 s-1): allylacetate, k1 = (2.33 ± 0.27) ×10-12 exp[(732 ± 34)/T]; and isopropenyl acetate,k2 = (4.52 ± 0.62) × 10-12exp[(809 ± 39)/T]. At 298 K, the rate coefficients obtained (inunits of 10-12 cm3 molecule-1 s-1)are: k1 = (27.1 ± 3.0) and k2= (69.6± 9.4). The relative rate technique has been usedto determine rate coefficients for the reaction ofozone with the acetates. Using methyl vinyl ketone asthe reference compound and a value of4.8 × 10-18 cm3 molecule-1s-1 asthe rate coefficient for its reaction with O3,the following rate coefficients were derived at 298 ± 4 K (in units of10-18 cm3molecule-1 s-1): allyl acetate, (2.4 ± 0.7) andisopropenyl acetate (0.7 ± 0.2). Theresults are discussed in terms of structure-activityrelationships and used to derive atmospheric lifetimesfor the acetates. |
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Keywords: | OH radicals ozone rate coefficients allyl acetate isopropenyl acetate |
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