{
  "abstract": "Successive oxidations, or reductions, of an extended molecular π-system can give rise to significant changes in the electronic structure compared to the neutral or singly charged counterparts. In this work, we investigated highly reduced states of butadiyne-linked porphyrin oligomers with up to nine porphyrin units and one negative charge per porphyrin. CW-EPR and 1H Mims ENDOR spectroscopy were used to probe the proton hyperfine interactions in these polyanions. Both techniques show a continuous narrowing of the spectra with simultaneously increasing charge and oligomer length corresponding to a decrease in the magnitudes of the largest hyperfine interactions. This is consistent with density functional theory calculations that support delocalization of spin density over the entire lengths of the molecules with high degrees of spin polarization and nonuniform spin density distributions. These spin distributions can also be described by a Hubbard model with antiferromagnetic spin coupling between electrons on adjacent sites. Finding systems with coherent wave functions that span the entire length of π-conjugated molecules, up to a length of more than 10 nm, will help identifying suitable candidates capable of coherent electron tunneling through molecular junctions.",
  "abstract_shown": true,
  "affiliations": [
    "Centre for Advanced Electron Spin Resonance, Department of Chemistry, University of Oxford, OxfordOX1 3QR, U.K.",
    "Chemistry Research Laboratory, Department of Chemistry, University of Oxford, OxfordOX1 3TA, U.K.",
    "The Clarendon Laboratory, Department of Physics, University of Oxford, Parks Road, OxfordOX1 3PU, U.K."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 8,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Janko Hergenhahn"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Sebastian M Kopp",
      "orcid": "0000-0003-0324-6404"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Edward R Champness"
    },
    {
      "affs": [
        1
      ],
      "name": "Damyan Frantzov"
    },
    {
      "affs": [
        1
      ],
      "name": "Kavita Rani"
    },
    {
      "affs": [
        2
      ],
      "name": "Arzhang Ardavan"
    },
    {
      "affs": [
        1
      ],
      "name": "Harry L Anderson",
      "orcid": "0000-0002-1801-8132"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Christiane R Timmel",
      "orcid": "0000-0003-1828-7700"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/fft3m5v390bd6.bib",
  "cited_by": 0,
  "doi": "10.1021/jacs.6c09441",
  "fulltext_url": "https://europepmc.org/articles/PMC13587665",
  "id": "fft3m5v390bd6",
  "issns": [
    "0002-7863",
    "1520-5126"
  ],
  "landing_url": "https://europepmc.org/article/MED/42915512",
  "language": "eng",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2505|Porphyrin and Phthalocyanine Chemistry"
    ]
  ],
  "openalex": "W7161640223",
  "pdf_url": "https://europepmc.org/articles/PMC13587665?pdf=render",
  "pmcid": "PMC13587665",
  "pmid": "42915512",
  "published": "2026-09-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/fft3m5v390bd6.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:21:02Z",
      "native_id": "MED:42915512",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42915512"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2505|Porphyrin and Phthalocyanine Chemistry",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Highly Charged Porphyrin Molecular Wires.",
  "title_text": "Highly Charged Porphyrin Molecular Wires.",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:21:02Z",
  "url": "https://research.draconitic.com/paper/fft3m5v390bd6",
  "venue": "Journal of the American Chemical Society",
  "versions": []
}