Issue 42, 2007

On the origin of the forward peak and backward oscillations in the F + H2(v = 0) → HF(v′ = 2) + H reaction

Abstract

We present a semiclassical complex angular momentum (CAM) analysis of the forward scattering peak which occurs at a translational collision energy around 32 meV in the quantum mechanical calculations for the F + H2(v = 0, j = 0) → HF(v′ = 2, j′ = 0) + H reaction on the Stark–Werner potential energy surface. The semiclassical CAM theory is modified to cover the forward and backward scattering angles. The peak is shown to result from constructive/destructive interference of the two Regge states associated with two resonances, one in the transition state region and the other in the exit channel van der Waals well. In addition, we demonstrate that the oscillations in the energy dependence of the backward differential cross section are caused by the interference between the direct backward scattering and the decay of the two resonance complexes returning to the backward direction after one full rotation.

Graphical abstract: On the origin of the forward peak and backward oscillations in the F + H2(v = 0) → HF(v′ = 2) + H reaction

Article information

Article type
Paper
Submitted
21 Jun 2007
Accepted
16 Aug 2007
First published
13 Sep 2007

Phys. Chem. Chem. Phys., 2007,9, 5664-5671

On the origin of the forward peak and backward oscillations in the F + H2(v = 0) → HF(v′ = 2) + H reaction

D. Sokolovski, D. De Fazio, S. Cavalli and V. Aquilanti, Phys. Chem. Chem. Phys., 2007, 9, 5664 DOI: 10.1039/B709427B

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