{
  "abstract": "The development of water-soluble gold catalysts for reactions in water remains challenging because catalyst speciation and oxidation-state changes can strongly influence activity and stability. Herein, two water-soluble Au(III)–NHC complexes (2a–b)–selected for their distinct structural features–were synthesized and evaluated in the A3-coupling reaction in aqueous media, together with their corresponding Au(I) precursor. Among the Au(III)–NHC precatalysts 2a and 2b, complex 2b displayed superior activity compared to 2a, affording quantitative yields at 1 mol % and maintaining significant conversion even at 0.2 mol % loading. Steric analysis based on %VBur calculations showed that, upon Au–Cl bond cleavage, the sulfonate side chain in 2b cyclized and coordinates to the metal center, leading to a significant increase in buried volume. Recycling experiments showed progressive deactivation of both Au(III) precatalysts, while NMR monitoring in the presence of phenylacetylene provided evidence for changes in Au(III)/Au(I) speciation, including formation of Au(I) species. Addition of catalytic amounts of CuCl2 improved the recycling of 2b, although catalyst reuse remained limited to three cycles. These results establish a correlation between ligand-controlled steric modulation, oxidation-state stability, and catalytic performance in aqueous Au(III)–NHC systems for the multicomponent A3-coupling reaction.",
  "abstract_shown": true,
  "affiliations": [
    "Instituto de Química Rosario-IQUIR (CONICET), Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario , Suipacha 531 , ,",
    "Universidad Nacional Del Sur (UNS)-CONICET , , Avenue Alem 1253 , ,"
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 4,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Liddier O. Pérez"
    },
    {
      "affs": [
        1
      ],
      "name": "Diana E. Vita"
    },
    {
      "affs": [
        1
      ],
      "name": "Gustavo F. Silbestri",
      "orcid": "0000-0003-3183-8781"
    },
    {
      "affs": [
        0
      ],
      "name": "Sebastián A. Testero",
      "orcid": "0000-0002-0185-5751"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/5w2yrv4vfetae.bib",
  "cited_by": 0,
  "doi": "10.1021/acsomega.6c11361",
  "fulltext_url": "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13717666/?tool=EBI",
  "id": "5w2yrv4vfetae",
  "issns": [
    "2470-1343"
  ],
  "landing_url": "https://pubs.acs.org/acsodf/article/11/42/65917/5449259/Water-Soluble-Au-NHC-Complexes-for-Aqueous-A3",
  "language": "eng",
  "licence": "CC-BY-NC-ND-4.0",
  "licence_label": "CC BY-NC-ND 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "heading",
      "Article"
    ],
    [
      "openalex",
      "1605|Catalytic Alkyne Reactions"
    ]
  ],
  "openalex": "W7221529768",
  "pdf_url": "https://pubs.acs.org/doi/pdf/10.1021/acsomega.6c11361",
  "pmcid": "PMC13717666",
  "pmid": "42959830",
  "published": "2026-10-12",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/5w2yrv4vfetae.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:39Z",
      "native_id": "10.1021/acsomega.6c11361",
      "source": "crossref",
      "url": "https://pubs.acs.org/acsodf/article/11/42/65917/5449259/Water-Soluble-Au-NHC-Complexes-for-Aqueous-A3"
    },
    {
      "first_seen": "2026-10-31T00:20:37Z",
      "native_id": "PMC:PMC13717666",
      "source": "europepmc",
      "url": "https://europepmc.org/article/PMC/PMC13717666"
    },
    {
      "first_seen": "2026-11-01T00:20:52Z",
      "native_id": "MED:42959830",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42959830"
    },
    {
      "first_seen": "2026-11-02T12:21:56Z",
      "native_id": "PMC13717666",
      "source": "pmc",
      "url": "https://doi.org/10.1021/acsomega.6c11361"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1605|Catalytic Alkyne Reactions",
      "subfield": "organic"
    }
  ],
  "title": "Water-Soluble Au–NHC Complexes for Aqueous A3 Coupling: Ligand Architecture, Catalyst Speciation, and Reuse",
  "title_text": "Water-Soluble Au–NHC Complexes for Aqueous A3 Coupling: Ligand Architecture, Catalyst Speciation, and Reuse",
  "type": "peer-reviewed",
  "updated_at": "2026-11-02T12:21:56Z",
  "url": "https://research.draconitic.com/paper/5w2yrv4vfetae",
  "venue": "ACS Omega",
  "versions": []
}