{
  "abstract": "• Synthesis and characterization of Pd(II) complexes with N-heterocyclic carbene ligands having a triazole pendant group. • Characterization of geometrical and rotational isomers for complexes of general formula [PdI 2 (NHC) 2 ]. • Evaluation of the energetics of the different isomers via DFT calculations. • Possibility to functionalize the triazole moiety affording a precursor of triazol-based N -heterocyclic carbenes. • Dinuclear complex formed by bridging coordination through the N-triazole and the C-imidazole atoms to two trans -PdI 2 units. A series of N -heterocyclic carbene (NHC) palladium complexes derived from N -methyl or N -mesityl-imidazolium salts bearing a triazole ring as pendant group to the second nitrogen atom, have been synthesized and characterized by NMR spectroscopy, mass spectrometry and single-crystal X-ray diffraction. Deprotonation of the imidazolium salt with palladium(II) acetate in acetonitrile affords square-planar Pd(II) complexes of general formula [PdI 2 (NHC) 2 ] with trans geometry. The steric hindrance of the NHC ligand substituents allows to characterize in solution both rotation syn and anti isomers. In contrast, in the crystallization process, the cis -[PdI 2 (NHC) 2 ] form was isolated, and its structure was determined by XRD. The stability of the possible geometrical and rotational isomers has been assessed also via DFT calculations (level of theory: COSMO-ZORA-BLYP(D3(BJ))/TZP). A second product forms along with the mononuclear complex and was identified as a dinuclear complex with the NHC and the nitrogen atom of the triazole ring bridging two trans -PdI 2 units. Finally, the nitrogen atom on the triazole ring was methylated affording a pendant triazolium salt, which can also give a carbene ligand upon deprotonation.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 9,
  "authors": [
    {
      "name": "Andrea Longhi"
    },
    {
      "name": "Francesca Malori"
    },
    {
      "name": "Marco Baron"
    },
    {
      "name": "Marzio Rancan"
    },
    {
      "name": "Marco Roverso"
    },
    {
      "name": "Lidia Armelao"
    },
    {
      "name": "Sara Bogialli"
    },
    {
      "name": "Laura Orian"
    },
    {
      "name": "Cristina Tubaro"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/2endn11k6e579.bib",
  "cited_by": 1,
  "doi": "10.1016/j.ica.2024.122498",
  "fulltext_url": null,
  "id": "2endn11k6e579",
  "issns": [
    "0020-1693",
    "0020-1693"
  ],
  "landing_url": "https://hal.science/hal-05790957v1",
  "language": "en",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "hal",
      "0.chim"
    ],
    [
      "openalex",
      "1605|N-Heterocyclic Carbenes in Organic and Inorganic Chemistry"
    ]
  ],
  "openalex": "W4405364547",
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-10",
  "publisher": "Elsevier",
  "ris": "https://research.draconitic.com/paper/2endn11k6e579.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:53Z",
      "native_id": "hal-05790957",
      "source": "hal",
      "url": "https://hal.science/hal-05790957v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1605|N-Heterocyclic Carbenes in Organic and Inorganic Chemistry",
      "subfield": "organic"
    }
  ],
  "title": "Palladium(II) coordination of N-heterocyclic carbene ligands with a triazole moiety in the nitrogen substituent",
  "title_text": "Palladium(II) coordination of N-heterocyclic carbene ligands with a triazole moiety in the nitrogen substituent",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:53Z",
  "url": "https://research.draconitic.com/paper/2endn11k6e579",
  "venue": "Inorganica Chimica Acta",
  "versions": []
}