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Título
Inelastic collision dynamics of oriented NO molecules with Kr atoms
Autor(es)
Palabras clave
Stereodynamics
Computational chemistry
Reaction dynamics
Fecha de publicación
2021
Editor
Taylor and Francis Group
Citación
Heid, C. G., Bentham, I. P., Gheorghe, R., Jambrina, P. G., Aoiz, F. J., & Brouard, M. (2021). Inelastic collision dynamics of oriented NO molecules with Kr atoms. Molecular Physics, 120(1–2). https://doi.org/10.1080/00268976.2021.1946607
Resumen
[EN]Building on our previous work on NO + Ar, this paper presents a complete set of orientation measurements and quantum mechanical calculations for the NO + Kr collision system, including both spin-orbit conserving and changing collisions, and both side-on (x-axis) and end-on (z-axis) orientations. While many of the trends observed in the oriented differential and integral scattering distributions, as well as in the spin-orbit branching fractions, are similar to the ones seen previously for NO + Ar, a direct comparison with the Ar data reveals subtle differences in the scattering dynamics, which we rationalise with the more extended attractive regions on the NO + Kr potential energy surfaces. High-impact parameter collisions that lead to low scattering angles in the spin-orbit conserving manifold are particularly sensitive to the topology in the attractive parts of the potential, whereas more impulsive, low-impact parameter trajectories, which sample the repulsive parts of the potential, produce very similar features in the oriented differential cross sections for the Ar and Kr systems, especially for spin-orbit changing collisions.
URI
ISSN
0026-8976
DOI
10.1080/00268976.2021.1946607
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