{
  "abstract": "Atomically precise nanoclusters (NC) with discrete electronic states and high surface-to-atom ratios offer unique controllable active sites leading to unique catalytic transformations. Here we demonstrate that an ultrasmall (<3 nm), atomically precise Ag-Cu alloy NC, [Ag13Cu4(o1-CBT)12]3- (o1-CBT = ortho-1-carboranethiol) (Ag13Cu4), leverages these features to accomplish the extremely difficult activation and cleavage of inert C-F bond under ambient conditions. With copper atoms positioned at peripheral sites, Ag13Cu4 catalyzes room-temperature C-N cross-coupling between aryl fluorides and the pharmacologically relevant thioguanine (TG) under aerobic conditions, delivering arylated TG derivatives under operationally simple conditions. Computations revealed the evolution of atomic arrangements, superatom-delocalized electronic states of the bimetallic NC, frontier orbitals of gap-localized Cu and reactants, activation mechanism and a barrier-crossing pathway of the catalyzed reaction, culminating with the uncovering of a concerted SNAr mechanism of the reaction enabling C-F bond-activation and cleavage of benzene fluoride with a cross-coupling transformation forming a C-N bond between the phenyl group and TG molecule. This first demonstration of ambient C-F bond dissociation by an atomically precise cluster highlights a molecular materials-driven frontier in catalysis, opening futuristic pathways for synthesizing fluorinated pharmaceuticals and remediation of fluorinated environmental contaminants.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemistry",
    "Indian Institute of Technology",
    "MNIT Jaipur",
    "School of Physics",
    "Georgia Institute of Technology",
    "Institute of Inorganic Chemistry",
    "Czech Academy of Science"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 7,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Vivek Yadav"
    },
    {
      "affs": [
        0,
        2
      ],
      "name": "Parveen Kumar"
    },
    {
      "affs": [
        3,
        4
      ],
      "name": "Bokown Yoon"
    },
    {
      "affs": [
        5,
        6
      ],
      "name": "Tomas Base"
    },
    {
      "affs": [
        0,
        2
      ],
      "name": "Meena Nemiwal"
    },
    {
      "affs": [
        3,
        4
      ],
      "name": "Uzi Landman"
    },
    {
      "name": "THALAPPIL PRADEEP",
      "orcid": "0000-0003-3174-534X"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/an2dywbzx816c.bib",
  "cited_by": 1,
  "doi": "10.26434/chemrxiv.15008243/v1",
  "fulltext_url": null,
  "id": "an2dywbzx816c",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008243/v1",
  "language": null,
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2505|Nanocluster Synthesis and Applications"
    ]
  ],
  "openalex": "W7207568174",
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-03",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/an2dywbzx816c.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:17Z",
      "native_id": "10.26434/chemrxiv.15008243",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008243/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2505|Nanocluster Synthesis and Applications",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Ag13Cu4 Nanocluster-Catalyzed Ambient C-F Bond Activation",
  "title_text": "Ag13Cu4 Nanocluster-Catalyzed Ambient C-F Bond Activation",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:17Z",
  "url": "https://research.draconitic.com/paper/an2dywbzx816c",
  "venue": "ChemRxiv",
  "versions": []
}