{
  "abstract": "Planar tetracoordinate carbon (ptC) motifs have been identified predominantly in the global‐minimum structures of gas‐phase clusters generated through laser ablation, limiting access to alternative kinetically persistent structures. Here, gas‐phase reactions of mass‐selected B5 + clusters with methane at room temperature yield CB5H2 + through H2 elimination, as established by time‐of‐flight mass spectrometry, isotope labeling, and kinetic measurements. Electronic‐structure calculations identify a low‐lying ptC‐containing isomer accessible from the nascent dehydrogenation product through a multistep rearrangement pathway. Microcanonical analysis indicates that a fraction of the nascent dehydrogenation product population can overcome the highest barrier before collisional deactivation. Once collisionally stabilized, this species is predicted to be kinetically persistent under the experimental conditions. Its bonding pattern combines localized C–B interactions with multicenter σ and π delocalization across the CB5 framework. These results establish CB5H2 + formation and provide computational support for access to a low‐lying ptC‐containing system.",
  "abstract_shown": true,
  "affiliations": [
    "Key Laboratory of Energy Storage Materials Innovation and Integration of Shanxi Province Institute of Molecular Science Shanxi University Taiyuan China",
    "Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados Unidad Mérida Mérida Yucatán México",
    "School of Mathematics and Physics North China Electric Power University Beijing China"
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 12,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Qin‐Wei Zhang"
    },
    {
      "affs": [
        0
      ],
      "name": "Qiang Chen",
      "orcid": "0000-0002-1488-1369"
    },
    {
      "affs": [
        1
      ],
      "name": "Fernando Murillo",
      "orcid": "0000-0002-1688-6008"
    },
    {
      "affs": [
        1
      ],
      "name": "Filiberto Ortíz‐Chi",
      "orcid": "0000-0002-2859-7633"
    },
    {
      "affs": [
        0
      ],
      "name": "Rui‐Nan Yuan",
      "orcid": "0009-0008-2424-9579"
    },
    {
      "affs": [
        1
      ],
      "name": "Fernando Martínez‐Villarino",
      "orcid": "0009-0008-7178-3651"
    },
    {
      "affs": [
        1
      ],
      "name": "Aura Gómez‐Heredia"
    },
    {
      "affs": [
        0
      ],
      "name": "Hong Niu"
    },
    {
      "affs": [
        0
      ],
      "name": "Rui Wei"
    },
    {
      "affs": [
        2
      ],
      "name": "Jiao‐Jiao Chen",
      "orcid": "0009-0008-7869-8660"
    },
    {
      "affs": [
        0
      ],
      "name": "Yan‐Bo Wu",
      "orcid": "0000-0001-6032-9957"
    },
    {
      "affs": [
        1
      ],
      "name": "Gabriel Merino",
      "orcid": "0000-0003-1961-8321"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/4410zgq65edme.bib",
  "cited_by": 0,
  "doi": "10.1002/anie.3185665",
  "fulltext_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13725570/",
  "id": "4410zgq65edme",
  "issns": [
    "1433-7851",
    "1521-3773"
  ],
  "landing_url": "https://doi.org/10.1002/anie.3185665",
  "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": [
    [
      "heading",
      "Research Article"
    ],
    [
      "openalex",
      "2741|Boron Compounds in Chemistry"
    ]
  ],
  "openalex": "W7213661504",
  "pdf_url": "https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/anie.3185665",
  "pmcid": "PMC13725570",
  "pmid": "42762451",
  "published": "2026-09-19",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/4410zgq65edme.ris",
  "sources": [
    {
      "first_seen": "2026-11-04T12:23:55Z",
      "native_id": "PMC13725570",
      "source": "pmc",
      "url": "https://doi.org/10.1002/anie.3185665"
    }
  ],
  "subjects": [
    {
      "field": "medicine",
      "origin": "openalex:2741|Boron Compounds in Chemistry",
      "subfield": "imaging"
    }
  ],
  "title": "Methane Activation by B5 + Toward a CB5H2 + Isomer Containing a Planar Tetracoordinate Carbon Atom",
  "title_text": "Methane Activation by B5 + Toward a CB5H2 + Isomer Containing a Planar Tetracoordinate Carbon Atom",
  "type": "peer-reviewed",
  "updated_at": "2026-11-05T12:22:07Z",
  "url": "https://research.draconitic.com/paper/4410zgq65edme",
  "venue": "Angewandte Chemie (International Ed. in English)",
  "versions": []
}