{
  "abstract": "Organic radicals with spin-polarized excited-state manifolds are attractive molecular platforms for quantum information technologies. A central challenge lies in the understanding of how emissive doublet states can communicate with higher-spin quartet states while maintaining efficient luminescence. In this context, we propose here a series of donor-bridge-acceptor radicals based on anthracene or naphthalene donors coupled to the tris(trichlorophenyl)methyl (TTM•) radical acceptor. By combining excited-state electronic-structure analysis with interpolated coordinate pathways, we reveal how the locally excited (LE) states and charge-transfer (CT) states govern the accessibility of quartet manifolds and enable radical-enhanced reverse intersystem crossing (ERISC). Structural variations, including steric hindrance and donor–acceptor spatial separation, are shown to modulate the CT-state characteristics and reshape the LE-CT energy landscape. Our results identify the electronic-structure requirements and molecular design strategies for achieving both optically addressable emission and manipulation of quartet states, two key ingredients for molecular qudit architectures.",
  "abstract_shown": true,
  "affiliations": [
    "The University of Arizona , , , ,"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Qi Sun",
      "orcid": "0000-0002-7518-9712"
    },
    {
      "affs": [
        0
      ],
      "name": "Jean-Luc Brédas",
      "orcid": "0000-0001-7278-4471"
    },
    {
      "affs": [
        0
      ],
      "name": "Veaceslav Coropceanu",
      "orcid": "0000-0003-1693-2315"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/cxeyt6hv9kvr4.bib",
  "cited_by": 0,
  "doi": "10.1021/acscentsci.6c01275",
  "fulltext_url": null,
  "id": "cxeyt6hv9kvr4",
  "issns": [
    "2374-7943",
    "2374-7951"
  ],
  "landing_url": "https://pubs.acs.org/acscii/article/doi/10.1021/acscentsci.6c01275/5448427/Design-of-Conjugated-Donor-Bridge-Acceptor",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1606|Photochemistry and Electron Transfer Studies"
    ]
  ],
  "openalex": "W7221197780",
  "pdf_url": "https://pubs.acs.org/doi/pdf/10.1021/acscentsci.6c01275",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-10",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/cxeyt6hv9kvr4.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:37Z",
      "native_id": "10.1021/acscentsci.6c01275",
      "source": "crossref",
      "url": "https://pubs.acs.org/acscii/article/doi/10.1021/acscentsci.6c01275/5448427/Design-of-Conjugated-Donor-Bridge-Acceptor"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1606|Photochemistry and Electron Transfer Studies",
      "subfield": "physical"
    }
  ],
  "title": "Design of π-Conjugated Donor-Bridge-Acceptor Radicals for Molecular Qudit Applications",
  "title_text": "Design of π-Conjugated Donor-Bridge-Acceptor Radicals for Molecular Qudit Applications",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:18:37Z",
  "url": "https://research.draconitic.com/paper/cxeyt6hv9kvr4",
  "venue": "ACS Central Science",
  "versions": []
}