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    Título
    Controlling the Spin–Orbit Branching Fraction in Molecular Collisions
    Autor(es)
    Heid, Cornelia G.
    Bentham, Imogen P.
    Walpole, Victoria
    García Jambrina, PabloUSAL authority ORCID
    Aoíz Moleres, Francisco Javier
    Brouard, Mark
    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
    https://hdl.handle.net/10366/166538
    ISSN
    1948-7185
    DOI
    10.1021/acs.jpclett.0c02941
    Versión del editor
    https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.0c02941
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