, Volume 3, Issue 6, pp 857-863,
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On the maximum in the differential cross sections of the F + H2 reaction in the region of small scattering angles


By means of quantum mechanical simulation of the reaction F + H2(v = 0; j = 0, 1, 2) → H + HF(v′, j′) on the Stark-Werner ground state potential energy surface at collision energies of 1.84, 2.74, and 3.42 kcal/mol, we have analyzed interference of the “partial waves” corresponding to different values of the total angular momentum J. As the vibrational quantum number v′ of the HF(v′, j′) product increases, the interference for the HF forward scattering becomes noticeably more constructive. This is probably the reason for the maximum in the angular distributions of the HF(v′= 3) molecules at small scattering angles that was discovered experimentally by D.M. Neumark, A.M. Wodtke, G.N. Robinson, C.C. Hayden, and Y.T. Lee, J. Chem. Phys. 82 (7), 3045 (1985) at the same collision energies. We have also determined the intervals of J values most effective for forward scattering of the HF(v′, j′) molecules.

Original Russian Text © V.M. Azriel’, V.M. Akimov, L.I. Kolesnikova, L.Yu. Rusin, M.B. Sevryuk, J.P. Toennies, 2009, published in Khimicheskaya Fizika, 2009, Vol. 28, No. 11, pp. 3–9.
The article was translated by the authors.