Chemical Physics Letters, Vol.568, 59-62, 2013
Kinetics and mechanism of the reaction of acetonyl radical, CH3C(O)CH2, with Br-2
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 + Br-2 -> CH3C(O)CH2Br + Br (1) at 298, 323 and 365 K. The rate coefficient at room temperature is k(1) = (2.33 +/- 0.04 (2 sigma)) x 10(-12) cm(3) 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 (I) can be due to the resonance stabilization of the acetonyl radical. (C) 2013 Elsevier B.V. All rights reserved.