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Título
Controlling the Spin–Orbit Branching Fraction in Molecular Collisions
Autor(es)
Palabras clave
Stereodynamics
Reaction dynamics
Computational chemistry
Fecha de publicación
2020
Editor
ACS Publications
Citación
Cornelia G. Heid, Imogen P. Bentham, Victoria Walpole, Pablo G. Jambrina, F. Javier Aoiz, and Mark Brouard The Journal of Physical Chemistry Letters 2021 12 (1), 310-316 DOI: 10.1021/acs.jpclett.0c02941
Resumen
[EN] The collision geometry, that is, the relative orientation of reactants before interaction, can have a large effect on how a collision or reaction proceeds. Certain geometries may prevent access to a given product channel, while others might enhance it. In this Letter, we demonstrate how the initial orientation of NO molecules relative to approaching Ar atoms determines the branching between the spin–orbit changing and the spin–orbit conserving rotational product channels. We use a recently developed quantum treatment to calculate differential and integral branching fractions, at any arbitrary orientation, from theoretical and experimental data points. Our results show that a substantial degree of control over the final spin–orbit state of the scattering products can be achieved by tuning the initial collision geometry.
URI
ISSN
1948-7185
DOI
10.1021/acs.jpclett.0c02941
Versión del editor
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