Abstract
The gas-phase radical-radical reaction dynamics of ground-state atomic oxygen [O(3P)] with iso-propyl radicals, (CH3) 2CH, were investigated by applying a combination of high-resolution laser-induced fluorescence spectroscopy in a crossed-beam configuration and ab initio calculations. The nascent distributions of OH (X2Π: υ′′ = 0) from the major reaction channel O(3P) + (CH3)2CH → C3H6 (propene) + OH showed substantial internal excitations with a bimodal feature of low- and high-N′′ components with neither spin-orbit nor Λ-doublet propensities. Unlike previous kinetic results, proposed to proceed only through the direct H-atom abstraction process, on the basis of the population analysis and comparison with the statistical theory, the title reaction can be described in terms of two competing mechanisms at the molecular level: direct abstraction process and indirect short-lived addition-complex-forming process with a ratio of 1.25:1.
| Original language | English |
|---|---|
| Pages (from-to) | 8122-8126 |
| Number of pages | 5 |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 13 |
| Issue number | 18 |
| DOIs | |
| Publication status | Published - 2011 May 14 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Physics and Astronomy(all)
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A gas-phase crossed-beam study of OH produced in the radical-radical reaction of O(3P) with iso-propyl radical (CH3) 2CH. / Kang, Kyoo Weon; Park, Min J.; Choi, Jong-Ho.
In: Physical Chemistry Chemical Physics, Vol. 13, No. 18, 14.05.2011, p. 8122-8126.Research output: Contribution to journal › Article
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TY - JOUR
T1 - A gas-phase crossed-beam study of OH produced in the radical-radical reaction of O(3P) with iso-propyl radical (CH3) 2CH
AU - Kang, Kyoo Weon
AU - Park, Min J.
AU - Choi, Jong-Ho
PY - 2011/5/14
Y1 - 2011/5/14
N2 - The gas-phase radical-radical reaction dynamics of ground-state atomic oxygen [O(3P)] with iso-propyl radicals, (CH3) 2CH, were investigated by applying a combination of high-resolution laser-induced fluorescence spectroscopy in a crossed-beam configuration and ab initio calculations. The nascent distributions of OH (X2Π: υ′′ = 0) from the major reaction channel O(3P) + (CH3)2CH → C3H6 (propene) + OH showed substantial internal excitations with a bimodal feature of low- and high-N′′ components with neither spin-orbit nor Λ-doublet propensities. Unlike previous kinetic results, proposed to proceed only through the direct H-atom abstraction process, on the basis of the population analysis and comparison with the statistical theory, the title reaction can be described in terms of two competing mechanisms at the molecular level: direct abstraction process and indirect short-lived addition-complex-forming process with a ratio of 1.25:1.
AB - The gas-phase radical-radical reaction dynamics of ground-state atomic oxygen [O(3P)] with iso-propyl radicals, (CH3) 2CH, were investigated by applying a combination of high-resolution laser-induced fluorescence spectroscopy in a crossed-beam configuration and ab initio calculations. The nascent distributions of OH (X2Π: υ′′ = 0) from the major reaction channel O(3P) + (CH3)2CH → C3H6 (propene) + OH showed substantial internal excitations with a bimodal feature of low- and high-N′′ components with neither spin-orbit nor Λ-doublet propensities. Unlike previous kinetic results, proposed to proceed only through the direct H-atom abstraction process, on the basis of the population analysis and comparison with the statistical theory, the title reaction can be described in terms of two competing mechanisms at the molecular level: direct abstraction process and indirect short-lived addition-complex-forming process with a ratio of 1.25:1.
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U2 - 10.1039/c0cp02392b
DO - 10.1039/c0cp02392b
M3 - Article
VL - 13
SP - 8122
EP - 8126
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 18
ER -