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

THAÍS DA SILVA BARBOSA; JAVIER A. BARRERA; RAFAEL TORO; GLAUCO FAVILLA BAUERFELDT; GRACIELA ARBILLA; SILVIA I. LANE.

JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

SOC BRASILEIRA QUIMICA

Lugar: San Pablo; Año: 2017

0103-5053

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 atomswere 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 cm 3 molecule -1 s -1 . The experimental value agrees with the rate coefficient estimated by structure-reactivity analysis, 4.27 × 10 -10 cm 3 molecule -1 s -1 . Moreover, both addition and hydrogen abstraction channels contribute to the global kinetics, with branchingratios 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.