期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 112, 期 39, 页码 9366-9373出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp802330k
关键词
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资金
- Division of Chemical Sciences
- Geosciences, and Biosciences
- Office of Basic Energy Sciences
- U.S. Department of Energy
- National Nuclear Security Administration [DE-AC04-94-AL85000]
- Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division
- U.S. Department of Energy [DE-AC0205CH 11231]
- Lawrence Berkeley National Laboratory
- NASA-Planetary Atmospheres Program [NNG05GQ15G]
Product channels for the self-reaction of the resonance-stabilized allyl radical, C3H5 + C3H5, have been studied with isomeric specificity at temperatures from 300-600 K and pressures from 1-6 Torr using time-resolved multiplexed photoionization mass spectrometry. Under these conditions 1.5-hexadiene was the only C6H10 product isomer detected. The lack of isomerization of the C6H10 product is in marked contrast to the C6H6 product in the related C3H3 + C3H3 reaction, and is due to the more saturated electronic structure of the C6H10 system. The disproportionation product channel, yielding allene + propene, was also detected, with an upper limit on the branching fraction relative to recombination of 0.03. Analysis of the allyl radical decay at 298 K yielded a total rate coefficient of (2.7 +/- 0.8) x 10(-11) cm(3) molecule(-1) s(-1), in good agreement with previous experimental measurements using ultraviolet kinetic absorption spectroscopy and a recent theoretical determination using variable reaction coordinate transition state theory. This result provides independent indirect Support for the literature value of the allyl radical ultraviolet absorption cross-section near 223 nm.
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