Jorfi M, Honvault P
Institut UTINAM, UMR CNRS 6213, University of Franche-Comte, 25030 Besancon Cedex, France.
J Phys Chem A. 2009 Mar 19;113(11):2316-22. doi: 10.1021/jp811237z.
We have studied the quantum dynamics of the N + OH --> NO + H reaction for collision energies up to 0.7 eV. The hyperspherical method has been used in a time-independent formalism. State-to-state reaction probabilities for a total angular momentum J = 0 have been computed. The results show a high reactivity below 0.45 eV and a very small one above this collision energy. Rotational and vibrational product distributions are presented for three collision energies (0.05, 0.1, and 0.5 eV). The vibrational distributions are found to be noninverted at 0.1 eV and inverted peaking at other energies. Rotational distributions are rather hot even if some low rotational states are strongly populated. These features are consistent with both direct and indirect reaction mechanisms.
