{
  "abstract": "We present the first study of the rotational excitation of AlCl(X¹Σ⁺) induced by collisions with H₂. We have calculated a four dimensional potential energy surface (PES) to describe the AlCl-H₂ interaction, with AlCl and H-2 being treated as rigid rotors. This PES has been computed using the explicitly correlated coupled-cluster method with single, double, and perturbative triple excitation in conjunction with the augmented-correlation consistent-polarized valence triple zeta basis set. Then, we have calculated the rotational excitation cross sections between the first 41 rotational levels of AlCl induced by H₂ collisions using the time-independent quantum mechanical close-coupling and coupled-states formalisms. Convergence tests revealed that the inclusion of excited para-H₂ energy levels in the rotational basis has a minor effect on the magnitude of the excitation cross sections. We also found that AlCl excitation cross sections induced by ortho-H₂ collisions are in good agreement with those induced by para-H₂ collisions. Hence, we limited the calculations to the excitation cross sections induced by H₂ in its ground rotational state. To derive excitation rate coefficients for temperatures up to 250 K, the cross sections computed for energies up to 1500 cm⁻¹ were averaged over a Maxwell-Boltzmann velocity distribution. The new rate coefficients were compared to those available for the AlCl-He collisional system, and major differences were found at high temperature, showing that actual AlCl-H₂ rate coefficients should be used for accurate astrophysical models. The new data are expected to play a crucial role in the modeling of AlCl observational spectra and will help in better constraining its abundance in space.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 6,
  "authors": [
    {
      "name": "M. M'Hamdi"
    },
    {
      "name": "A. Ben Houria"
    },
    {
      "name": "C T Bop"
    },
    {
      "name": "N. Jaïdane"
    },
    {
      "name": "K. Hammami"
    },
    {
      "name": "F Lique"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/0gwdwy1140nz8.bib",
  "cited_by": 2,
  "doi": "10.1063/5.0314746",
  "fulltext_url": null,
  "id": "0gwdwy1140nz8",
  "issns": [
    "0021-9606",
    "1089-7690"
  ],
  "landing_url": "https://hal.science/hal-05512501v1",
  "language": "en",
  "licence": "CC-BY-NC-4.0",
  "licence_label": "CC BY-NC 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "hal",
      "0.phys"
    ],
    [
      "hal",
      "1.phys.phys"
    ],
    [
      "hal",
      "2.phys.phys.phys-chem-ph"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7127638905",
  "pdf_url": "https://hal.science/hal-05512501/document",
  "pmcid": null,
  "pmid": "41636448",
  "published": "2026-09-07",
  "publisher": "American Institute of Physics",
  "ris": "https://research.draconitic.com/paper/0gwdwy1140nz8.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:29Z",
      "native_id": "hal-05512501",
      "source": "hal",
      "url": "https://hal.science/hal-05512501v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "hal:2.phys.phys.phys-chem-ph",
      "subfield": "physical"
    },
    {
      "field": "physics",
      "origin": "hal:0.phys",
      "subfield": "general"
    }
  ],
  "title": "Rotational excitation of AlCl induced by H₂ collisions",
  "title_text": "Rotational excitation of AlCl induced by H₂ collisions",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:29Z",
  "url": "https://research.draconitic.com/paper/0gwdwy1140nz8",
  "venue": "The Journal of Chemical Physics",
  "versions": []
}