Rotational transitions in O(3P)+H2(HD,DH,D2) reaction: Roles of coordinate transformation and rotationally inelastic half collisions for product distributions

Nakamura, Masato
February 1992
Journal of Chemical Physics;2/15/1992, Vol. 96 Issue 4, p2724
Academic Journal
Rotational transitions in the O(3P)+H2 reaction and its isotopic variations are studied. Product rotational-state distributions are calculated using an independent-event approximation together with a simplified distorted-wave cross section for collinear-favored reactions, both of which have been proposed recently. The calculation quite well reproduces the product rotational distribution obtained by Schatz performing an accurate CSDW (coupled-state–distorted-wave) calculation. It is found that not only the coordinate transformation but also the rotationally inelastic half collisions play significant roles in determining the product distribution. The contributions of each mechanism depend strongly on the system; the first mechanism is much more important than the second one for the O+DH reaction, while the second mechanism dominates the O+HD reaction. The rotational rainbow feature in a half collision is found to appear in the product distribution.


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