https://doi.org/10.1140/epjd/e2008-00024-4
On the features of statistical behaviour of the O(3P)+HCl(v = 2, j = 1,6,9) → OH + Cl reaction
1
Grupo de Dinámica Molecular, Departamento de Química Física, Universidad de Salamanca, 37008 Salamanca, Spain
2
Instituto de Física Fundamental (CSIC), Serrano 123, 28006 Madrid, Spain
Corresponding author: a tglezana@imaff.cfmac.csic.es
Received:
10
October
2007
Revised:
14
January
2008
Published online:
20
February
2008
The O(3P)+HCl(v = 2, j = 1,2,6) → OH+Cl reaction has been theoretically studied by means of a statistical quantum model and an exact time independent method. Although the statistical method is based on the assumption of a complex-forming mechanism, which seems not be the case for this process, the OH(v' = 1) product channel, specially when the HCl reagent is rotationally excited to j = 1, exhibits features of statistical behaviour. In fact, experimental rotational distributions and previous exact quantum mechanical integral cross sections are well described by present statistical results. A possible explanation for this feature is given in terms of the existence of a dynamical well which strongly correlates the initial (v = 2, j = 1) state with the v'=1 final manifold. The method is not capable though to account for the vibrational inversion seen for this process and results obtained for the vibrationless OH formation are in clear disagreement with previous findings.
PACS: 34.50.Lf – Chemical reactions, energy disposal, and angular distribution, as studied by atomic and molecular beams / 82.20.Bc – State selected dynamics and product distribution
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2008