Issue 65, 2022

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

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.

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

Associated articles

Supplementary files

Article information

Article type
Communication
Submitted
16 jun. 2022
Accepted
20 jul. 2022
First published
21 jul. 2022
This article is Open Access
Creative Commons BY license

Chem. Commun., 2022,58, 9092-9095

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

C. Robertson and M. J. Paterson, Chem. Commun., 2022, 58, 9092 DOI: 10.1039/D2CC03368B

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