The CO product of the reaction of O(3P) with CH3 radicals

Abstract

The reaction of O(3P) atoms with CH3 radicals is shown to produce CO (in addition to the major product CH2O) which is detected by laser induced fluorescence. The rotational and vibrational temperatures of the CO product are about 2000 K. The results are explained by the assumption that the reaction takes place mainly by an indirect mechanism in which a methoxyl radical is formed and then dissociates unimolecularly.

Quantum chemical investigation of the reaction of O(3 P 2) with certain hydrocarbon radicals

“…The formation of CO + H 2 + H from INT1 is predicted to be the major reaction pathway which is in agreement with the experiment results. 5 An overview of the potential energy profile for the O( 3 P 2 ) + CH 3 reaction is given in figure 5. …”

“…An extensive search for various product channels, intermediates and transition states has been carried out using DFT method and complete basis set model (CBS-Q and CBS-QB3). An experimental study of the reaction of O( 3 P 2 ) with CH 3 radicals was reported by Min et al 13 . They had detected the presence of CO in addition to the major product CH 2 OH by laser induced fluorescence.…”

“…The reaction of O( 3 P 2 ) with methyl radicals (CH 3 ) under low pressure flow conditions, manifesting an indirect addition mechanism was carried out by Bersohn and co-workers. 5 One of the product channels was found to be CO + H 2 and H. The reaction of propargyl radical (C 3 H 3 ) with groundstate atomic carbon [C( 3 P 2 )] in a crossed beam configuration was studied by Lee and co-workers 6 using time-of-flight spectroscopy and measuring angular distribution of the product C 4 H 2 .…”

Reactions of oxygen atoms with hydrocarbon radicals: a priori kinetic predictions for the CH3+ O, C2H5+ O, and C2H3+ O reactions

“…The CH 3 + O reaction, which is, in general, the most important of these reactions due to the relatively low reactivity of the CH 3 radical, has been widely studied experimentally. These studies have focussed on both the overall rate coefficient at low [1][2][3][4][5][6][7][8][9][10] and high temperatures [11][12][13], and on the product distribution [14][15][16][17]. Overall, the total rate coefficient appears to be effectively constant at 1.4 · 10 À10 cm 3 molecule À1 s À1 from room temperature all the way up to 2300 K. However, the most recent observation of the temperature 1540-7489/$ -see front matter Ó 2004 The Combustion Institute.…”

The direct production of CO(v=1–9) in the reaction of O(3P) with the ethyl radical

“…3 Together with the competing product channel leading to the formation of formaldehyde, these two channels, CH 3 ϩO͑ 3 P ͒→H 2 COϩH ⌬HϭϪ286 kJ/mol, ͑2a͒ CH 3 ϩO͑ 3 P ͒→COϩH 2 ϩH ⌬HϭϪ287 kJ/mol, ͑2b͒ are considered to be the dominant pathways. [3][4][5][6] From the infrared emission experiment, the branching ratio of channel ͑2b͒ was estimated to be as large as 40%. 3 Recent experiments by Fockenberg et al determined a branching ratio for this channel of 0.17Ϯ0.11 by time-of-flight mass spectrometry and 0.18Ϯ0.04 by infrared diode laser spectroscopy.…”