title: H atom attack on propene.
abstract: The reaction of propene (CH(3)CH═CH(2)) with hydrogen atoms has been investigated in a heated single-pulsed shock tube at temperatures between 902 and 1200 K and pressures of 1.5-3.4 bar. Stable products from H atom addition and H abstraction have been identified and quantified by gas chromatography/flame ionization/mass spectrometry. The reaction for the H addition channel involving methyl displacement from propene has been determined relative to methyl displacement from 1,3,5-trimethylbenzene (135TMB), leading to a reaction rate, k(H + propene) → H(2)C═CH(2) + CH(3)) = 4.8 × 10(13) exp(-2081/T) cm(3)/(mol s). The rate constant for the abstraction of the allylic hydrogen atom is determined to be k(H + propene → CH(2)CH═CH(2) + H(2)) = 6.4 × 10(13) exp(-4168/T) cm(3)/(mol s). The reaction of H + propene has also been directly studied relative to the reaction of H + propyne, and the relationship is found to be log[k(H + propyne → acetylene + CH(3))/k(H + propene → ethylene + CH(3))] = (-0.461 ± 0.041)(1000/T) + (0.44 ± 0.04). The results showed that the rate constant for the methyl displacement reaction with propene is a factor of 1.05 ± 0.1 larger than that for propyne near 1000 K. The present results are compared with relevant earlier data on related compounds.
authors.affiliation: National Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, Maryland 20899, United States.
authors.forename: Claudette M
authors.initials: CM
authors.lastname: Rosado-Reyes
authors.forename: Jeffrey A
authors.initials: JA
authors.lastname: Manion
authors.forename: Wing
authors.initials: W
authors.lastname: Tsang