Theoretical Rate Constants And Stereodynamics For The O+N2 Collision

Quasiclassical trajectories have been integrated to determine the reaction rate constants for O + N2 collision. This reaction is endothermic and the channel only opens up above 10 000 K. When fitting those rate constants to the Arrhenius functions, we obtain the rate expression as: k(T) = 1.95 ? 10-11exp(-37372/T) cm3 s- 1 molecule-1. The distributions P(?r, ?r) for the title reaction at collision energies 3.6?10 eV are calculated. The results show that the angular momentum j of the product is not only perpendicular to the direction of the incident velocity vector, but also oriented along the negative direction of the Y-axis. Also, four polarization-dependent differential cross-sections (PDDCSs) are provided. PDDCS00 shows that the NO products change from forward scattering to backward scattering with increasing of the collision energy. Reaction cross sections and probabilities have been discussed and, the variation of nuclear distances indicate that the title reaction undergoes both the direct and indirect reaction mechanisms.