{
  "abstract": "Encoding prescribed topologies in rigid conjugated frameworks offers a route to tuning electronic properties but is constrained by severe geometric strain. We synthesized and isolated Möbius kekulene, a compact, all-benzenoid double-stranded counterpart of planar kekulene. Its synthesis was enabled by strain-trajectory programming, in which precursor connectivity is designed to control strain accumulation during cyclization. Comparison of two precursors revealed contrasting strain trajectories: MCP1 concentrated the torsional deformation into an inaccessible late-stage closure, whereasMCP2 accommodated deformation progressively, reducing the largest strain increment and affording Möbius kekulene 1. Crystallography confirms a singly twisted topology with a calculated strain energy of 73.9 kcal/mol per twist, highest among reported Möbius π-systems. Despite pronounced distortion, 1 retains a Clar-type localized electronic structure analogous to planar kekulene, with local aromaticity progressively perturbed toward the twist region. These results establish strain-trajectory programming as a design principle for accessing highly constrained molecular topologies.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 2,
  "authors": [
    {
      "name": "Mingxin He"
    },
    {
      "name": "Yong Ni",
      "orcid": "0000-0002-3844-0103"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/17x417ar7q9rj.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15010095/v1",
  "fulltext_url": null,
  "id": "17x417ar7q9rj",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010095/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1605|Synthesis and Properties of Aromatic Compounds"
    ]
  ],
  "openalex": "W7220894987",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010095/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-08",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/17x417ar7q9rj.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:22Z",
      "native_id": "10.26434/chemrxiv.15010095",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010095/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1605|Synthesis and Properties of Aromatic Compounds",
      "subfield": "organic"
    }
  ],
  "title": "Möbius Kekulene",
  "title_text": "Möbius Kekulene",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:22Z",
  "url": "https://research.draconitic.com/paper/17x417ar7q9rj",
  "venue": "ChemRxiv",
  "versions": []
}