Velocity map images from surface-hopping; reactive scattering of OH (2Σ+) + H2 (1Σ+g)

Christopher Robertson, Martin J. Paterson

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Abstract

We study OH(Σ) + H2 → H2O(X) + H reactive scattering using two potential energy models found in the literature. We analyze the quenching channels and generate velocity map images (VMI) by simulating quantum-classical trajectories of the quenched products. The initial conditions attempt to simulate supersonic jet, molecular beam scattering experiments which we compare against. The simulated results are able to elucidate the mechanisms behind some of these experimental observations.

Original languageEnglish
Pages (from-to)9092-9095
Number of pages4
JournalChemical Communications
Volume58
Issue number65
Early online date21 Jul 2022
DOIs
Publication statusPublished - 21 Aug 2022

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