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    Título
    Unveiling shape resonances in H + HF collisions at cold energies
    Autor(es)
    García Jambrina, PabloUSAL authority ORCID
    González Sánchez, LolaUSAL authority ORCID
    Lara, Manuel
    Menéndez, Marta
    Aoíz Moleres, Francisco Javier
    Palabras clave
    Stereodynamics
    Computational chemistry
    Reaction dynamics
    Fecha de publicación
    2020
    Editor
    Royal Society of Chemistry
    Citación
    Phys. Chem. Chem. Phys., 2020,22, 24943-24950
    Resumen
    [EN]Scattering resonances are pure quantum effects that appear whenever the collision energy matches the energy of a quasi-bound state of the intermolecular complex. Here we show that rotational quenching of HF(j = 1, 2) with H is strongly influenced by the presence of two resonance peaks, leading to up to a two-fold increase in the thermal rate coefficients at the low temperatures characteristic of the interstellar medium. Our results show that each resonance peak is formed by a cluster of shape resonances, each of them characterized by the same value of the orbital angular momentum but different values of the total angular momentum. The relative intensity of these resonances depends on the relative geometry of the incoming reactants, and our results predict that by changing the alignment of the HF rotational angular momentum it is possible to decompose the resonance peaks, disentangling the underlying resonance pattern and the contribution of different total angular momenta to the resonance.
    URI
    https://hdl.handle.net/10366/166543
    ISSN
    1463-9076
    DOI
    10.1039/D0CP04885B
    Versión del editor
    https://doi.org/10.1039/D0CP04885B
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