Quantum mechanical treatment of the F+H2→HF+H reaction

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Abstract
In this paper is presented a quantum dynamical study of the F+H2 reaction within the infinite order sudden approximation for the energy range Etot=0.28–0.50 eV. Results at various stages of the calculation are given ranging from the most detailed phases and S matrices to the total integral cross sections. The accuracy of the IOS is assessed by comparisons of the average l‐labeled quantal IOS results with exact classical, initial‐l labeled classical IOS, and l‐initial labeled quantum IOS results. Comparison with experiment indicates that the qualitative state‐to‐state angular distributions are reproduced within this method. On the other hand, vibrational branching ratios for the product HF molecule are only partially reproduced. The main part of the discussion in the paper is devoted to the recent hypothesis concerning the existence of a superposition of resonances which strongly influence the angular distributions as a function of final vibrational state of the HF product.