Kinetics and mechanism of the reaction of acetonyl radical, CH 3C(O)CH2, with Br2

Gábor L. Zügner, Emese Szabó, Mária Farkas, Sándor Dóbé, Katarzyna Brudnik, Dariusz Sarzyński, Jerzy T. Jodkowski

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Abstract

The low pressure fast discharge flow method with laser induced fluorescence detection of CH3C(O)CH2 was employed to study the kinetics of the reaction CH3C(O)CH2+Br2→ CH3C(O)CH2Br+Br (1) at 298, 323 and 365 K. The rate coefficient at room temperature is k1 = (2.33 ± 0.04 (2σ)) × 10-12 cm3 molecule-1 s -1, which increases slightly with increasing temperature. Quantum chemistry (G2) and theoretical rate theory (conventional TST) computations have supplied results in qualitative agreement with experiment. The relatively slow rate of reaction (1) can be due to the resonance stabilization of the acetonyl radical.

Original languageEnglish
Pages (from-to)59-62
Number of pages4
JournalChemical Physics Letters
Volume568-569
DOIs
Publication statusPublished - May 1 2013

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Zügner, G. L., Szabó, E., Farkas, M., Dóbé, S., Brudnik, K., Sarzyński, D., & Jodkowski, J. T. (2013). Kinetics and mechanism of the reaction of acetonyl radical, CH 3C(O)CH2, with Br2. Chemical Physics Letters, 568-569, 59-62. https://doi.org/10.1016/j.cplett.2013.03.026