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Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K

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posted on 2017-12-05, 08:51 authored by Thaís S. Barbosa, Javier A. Barrera, Rafael Jara Toro, Glauco F. Bauerfeldt, Graciela Arbilla, Silvia I. Lane

The rate coefficient of the cis-3-hexene + Cl atoms reaction at 296 ± 2 K and 750 ± 10 Torr was determined using the relative rate technique. The reaction was investigated using an 80 L Teflon reaction bag and a gas chromatograph coupled with flame-ionization detection. Chlorine atoms were produced by the photolysis of trichloroacetyl chloride. No previous experimental data was available in the literature, to the best of our knowledge. The mean second-order rate coefficient value found was (4.13 ± 0.51) × 10-10 cm3 molecule-1 s-1. The experimental value agrees with the rate coefficient estimated by structure-reactivity analysis, 4.27 × 10-10 cm3 molecule-1 s-1. Moreover, both addition and hydrogen abstraction channels contribute to the global kinetics, with branching ratios 70:30. Effective lifetime with respect to Cl atoms is predicted as 67.2 hours; however, the cis-3-hexene + Cl channel is suggested to be non-negligible at atmospheric conditions. Other atmospheric implications are discussed.

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    Journal of the Brazilian Chemical Society

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