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

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

Research output: Contribution to journalArticle

2 Citations (Scopus)

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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methylidyne
Quantum chemistry
Kinetics
kinetics
Stabilization
Fluorescence
quantum chemistry
laser induced fluorescence
Temperature
Molecules
Lasers
low pressure
stabilization
Experiments
room temperature
coefficients
molecules
temperature

ASJC Scopus subject areas

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

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

Kinetics and mechanism of the reaction of acetonyl radical, CH 3C(O)CH2, with Br2 . / Zügner, Gábor L.; Szabó, Emese; Farkas, Mária; Dóbé, S.; Brudnik, Katarzyna; Sarzyński, Dariusz; Jodkowski, Jerzy T.

In: Chemical Physics Letters, Vol. 568-569, 01.05.2013, p. 59-62.

Research output: Contribution to journalArticle

Zügner, GL, Szabó, E, Farkas, M, Dóbé, S, Brudnik, K, Sarzyński, D & Jodkowski, JT 2013, 'Kinetics and mechanism of the reaction of acetonyl radical, CH 3C(O)CH2, with Br2 ', Chemical Physics Letters, vol. 568-569, pp. 59-62. https://doi.org/10.1016/j.cplett.2013.03.026
Zügner, Gábor L. ; Szabó, Emese ; Farkas, Mária ; Dóbé, S. ; Brudnik, Katarzyna ; Sarzyński, Dariusz ; Jodkowski, Jerzy T. / Kinetics and mechanism of the reaction of acetonyl radical, CH 3C(O)CH2, with Br2 In: Chemical Physics Letters. 2013 ; Vol. 568-569. pp. 59-62.
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