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Título
Universal behavior in complex-mediated reactions: Dynamics of S(1D) + o-D2 → D + SD at low collision energies
Autor(es)
Palabras clave
Stereodynamics
Computational chemistry
Reaction dynamics
Fecha de publicación
2023
Editor
AIP Publishing
Citación
Manuel Lara, P. G. Jambrina, F. J. Aoiz; Universal behavior in complex-mediated reactions: Dynamics of S(1D) + o-D2 → D + SD at low collision energies. J. Chem. Phys. 14 May 2023; 158 (18): 184303. https://doi.org/10.1063/5.0147182
Resumen
[EN]Reactive and elastic cross sections and rate coefficients have been calculated for the S(1D) + D2(v = 0, j = 0) reaction using a modified hyperspherical quantum reactive scattering method. The considered collision energy ranges from the ultracold regime, where only one partial wave is open, up to the Langevin regime, where many of them contribute. This work presents the extension of the quantum calculations, which in a previous study were compared with the experimental results, down to energies in the cold and ultracold domains. Results are analyzed and compared with the universal case of the quantum defect theory by Jachymski et al. [Phys. Rev. Lett. 110, 213202 (2013)]. State-to-state integral and differential cross sections are also shown covering the ranges of low-thermal, cold, and ultracold collision energy regimes. It is found that at E/kB < 1 K, there are substantial departures from the expected statistical behavior and that dynamical features become increasingly important with decreasing collision energy, leading to vibrational excitation.
URI
ISSN
0021-9606
DOI
10.1063/5.0147182
Versión del editor
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