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Rotational relaxation of SiCSi by collision with para-H\(_2(j=0)\)

  • Regular Article – Atomic and Molecular Collisions
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Abstract

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\(_2(j=0)\). 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.

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Data Availability Statement

This manuscript has no associated data or the data will not be deposited. [Authors’ comment: The datasets generated during and/or analyzed during the current study are available from the corresponding author on reasonable request.]

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Acknowledgements

Support from the project Anid/Conicyt/Fondecyt Regular/No. 1200732 is gratefully acknowledged. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02).

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Authors and Affiliations

  1. Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, Universidad Andres Bello, República 275, Santiago, Chile

    Lisán David Cabrera-González & Dayán Páez-Hernández

  2. CNRS UMR 5255, Institut des Sciences Moléculaires, Université de Bordeaux, 351 cours de la Libération, 33405, Talence Cedex, France

    Ricardo M. García-Vázquez & Thierry Stoecklin

  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

    Ricardo M. García-Vázquez

  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

    Otoniel Denis-Alpizar

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  1. Lisán David Cabrera-González
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All authors contributed equally to the paper.

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Correspondence to Otoniel Denis-Alpizar.

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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.

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Cabrera-González, L.D., García-Vázquez, R.M., Páez-Hernández, D. et al. Rotational relaxation of SiCSi by collision with para-H\(_2(j=0)\). Eur. Phys. J. D 77, 107 (2023). https://doi.org/10.1140/epjd/s10053-023-00690-w

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