Journal
CHEMICAL PHYSICS
Volume 349, Issue 1-3, Pages 181-187Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chemphys.2008.02.022
Keywords
reaction dynamics; statistical theory of reaction rates; complex formation; non-statistical behavior; combustion
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We report quasi-classical trajectory studies of the title reaction on a new potential energy surface based oil high-level ab initio data. At moderately high energies, the differential cross section was found to be near symmetric, but with increasing collision energy it becomes strongly forward biased. The forward-backward symmetry, however, does not prove to be a strict indication of complex formation as such angular distributions are observed at relatively low collision energies even if the lifetime of the complex is very short. The lifetime distribution of the collision complexes is not exponential. Strong signs of statistical behavior are observed only in the ensemble of complexes living for 2.5 ps or longer. (c) 2008 Elsevier B.V. All rights reserved.
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