The HF(v'=3) forward scattering peak of the F + H2 reaction revisited

Details The HF(v'=3) forward scattering peak of the F + H2 reaction revisited The HF(v'=3) forward scattering peak of the F + H2 reaction revisited

2010-09-08

arxiv.org/abs/1009.1578v1

Physics

Chemical Physics

23 pages, 5 color Postscript figures, uses citesort.sty

Scientific paper

A quantum mechanical coupled-channel scattering calculation on the Stark-Werner potential energy surface is used to study the F + H2(v=0; j=0,1,2) ---> H + HF(v', j') reaction at collision energies of 1.84, 2.74, and 3.42 kcal/mol. The dependence of the vibrationally and rotationally resolved differential cross sections on the product vibrational levels v'=0, 1, 2, and 3 as well as on the reactant and product rotational levels is analyzed. The HF(v'=3) center-of-mass forward scattering peak is shown to be caused by the superposition of two effects, namely, the absence of the HF(v'=3; j') products with large j' values due to energy constraints and the growth of the rotationally resolved HF(v', j') forward scattering peak with small j' values as v' increases.

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