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Título
Unveiling shape resonances in H + HF collisions at cold energies
Autor(es)
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
ISSN
1463-9076
DOI
10.1039/D0CP04885B
Versión del editor
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- GIDM. Artículos [73]












