A transition state resonance radically reshapes angular distributions of the F + H2 -> F H(vf = 3) + H reaction in the 62-101 meV energy range

• URL: http://arxiv.org/abs/2408.16134v3
• Date: Wed, 11 Sep 2024 15:09:18 GMT
• Title: A transition state resonance radically reshapes angular distributions of the F + H2 -> F H(vf = 3) + H reaction in the 62-101 meV energy range
• Authors: Dmitri Sokolovski, Dario De Fazio, Elena Akhmatskaya,
• Abstract summary: Reactive angular distributions of the benchmark F + H(vi = 0) -> F H(vf = 3) + H reaction show unusual propensity towards small scattering angles. Conversion to complex energy poles allows us to attribute the effect almost exclusively to a transition state resonance.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: Reactive angular distributions of the benchmark F + H2(vi = 0) -> F H(vf = 3) + H reaction show unusual propensity towards small scattering angles, a subject of a long debate in the literature. We use Regge trajectories to quantify the resonance contributions to state-to-state differential cross sections. Conversion to complex energy poles allows us to attribute the effect almost exclusively to a transition state resonance, long known to exist in the F +H2 system and its isotopic variant F +HD. For our detailed analysis of angular scattering we employ the package DCS Regge, recently developed for the purpose [Comp. Phys. Comm., 2022, 277, 108370.]

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