https://doi.org/10.1140/epjd/s10053-023-00690-w
Regular Article – Atomic and Molecular Collisions
Rotational relaxation of SiCSi by collision with para-H
1
Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, Universidad Andres Bello, República 275, Santiago, Chile
2
CNRS UMR 5255, Institut des Sciences Moléculaires, Université de Bordeaux, 351 cours de la Libération, 33405, Talence Cedex, France
3
Departamento de Física Atómica y Molecular, Instituto Superior de Tecnologías y Ciencias Aplicadas, Universidad de La Habana, Ave. Salvador Allende No. 1110, Plaza de la Revolución, 10400, Havana, Cuba
4
Grupo de Investigación en Física Aplicada, Facultad de Ingeniería, Instituto de Ciencias Químicas Aplicadas, Universidad Autónoma de Chile, Av. Pedro de Valdivia 425, Providencia, 7500912, Santiago, Chile
Received:
9
March
2023
Accepted:
30
May
2023
Published online:
16
June
2023
The SiCSi molecule has been detected in the interstellar medium (ISM) and is expected to play a key role in astrochemistry. To correctly determine the physicochemical conditions in typical molecular clouds, the use of non-local thermodynamic equilibrium models is essential. These models require the rate coefficients of the molecule analyzed with the most common ISM colliders. However, for SiCSi, these data are not available. The main objective of this work is to determine the first set of rotational rate coefficients for SiCSi collision with para-H. For this purpose, a recently reported reduced potential energy surface is employed. Quantum dynamics is studied from close-coupling calculations. Furthermore, a set of cross-sections is computed using the coupled-states methods and compared with the close-coupling results. The rate coefficients are compared with the values of an approximation used recently in the literature, showing the need to determine these data from accurate calculations. Finally, the de-excitation rate coefficients are reported for the first 31 rotational states of SiCSi at low temperatures.
Dynamics and Photodynamics: from isolated molecules to the condensed phase. Guest editors: Luis Bañares, Ramón Hernández-Lamoneda, Pascal Larregaray, Germán Rojas-Lorenzo and Jesús Rubayo-Soneira.
Supplementary Information The online version contains supplementary material available at https://doi.org/10.1140/epjd/s10053-023-00690-w.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
