{
  "abstract": "Metal--organic frameworks (MOFs) are promising photocatalysts whose visible-light absorption can be extended through linker functionalization; however, a red-shifted absorption edge does not guarantee enhanced efficiency. Here, we establish a multi-spectroscopic framework to decipher the photophysical fate of photoexcited states in diazo-sensitized UiO-66 using 2D photoluminescence (PL/PLE) mapping and wavelength-resolved continuous-wave X-band photo-EPR. By correlating visible absorption with photo-EPR and PLE action spectra, we distinguish a \\textit{productive red shift} from a \\textit{non-productive emissive red shift}. In highly active UiO-66-Anisole (97\\% activity relative to \\ch{TiO2}), photo-EPR tracks the new absorption band, confirming that excitation populates a charge-transfer pathway yielding persistent, spin-separated states. Conversely, poorly active UiO-66-$β$-naphthol (4\\%) exhibits an extended visible absorption tracked by PLE but not photo-EPR. This reflects excitation trapping in a localized state caused by an \\textit{ortho}-$\\mathrm{OH}$ group forming a rigid intramolecular hydrogen bond, which locks the keto-hydrazone tautomer and disrupts the conjugated azo bridge. A new optical overlap descriptor ($S_{\\mathrm{Exc}}$) quantitatively captures this trade-off across the series. We demonstrate that photosensitizer design must suppress rigid tautomeric traps and target specific charge-transfer manifolds ($λ\\le 500$~nm) rather than merely maximizing apparent panchromatic absorption breadth.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.00931",
  "author_total": 5,
  "authors": [
    {
      "name": "Manuela L. Kim"
    },
    {
      "name": "Mauricio E. Calvo"
    },
    {
      "name": "Katsuya Teshima"
    },
    {
      "name": "Fabio La Mattina"
    },
    {
      "name": "Eugenio H. Otal"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/d7y666ba09n1p.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.00931",
  "fulltext_url": null,
  "id": "d7y666ba09n1p",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.00931",
  "language": null,
  "licence": "LicenseRef-arXiv-nonexclusive-1.0",
  "licence_label": "arXiv licence",
  "licence_source": "article",
  "licence_url": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "arxiv",
      "physics.chem-ph"
    ],
    [
      "openalex",
      "1604|Metal-Organic Frameworks: Synthesis and Applications"
    ]
  ],
  "openalex": "W7206204312",
  "pdf_url": "https://arxiv.org/pdf/2609.00931",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/d7y666ba09n1p.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:00Z",
      "native_id": "2609.00931",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.00931"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    },
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Beyond Panchromatic Absorption: Deciphering the Excited-State Maze from Light Absorption to Photocatalysis in Dye-Sensitized MOFs",
  "title_text": "Beyond Panchromatic Absorption: Deciphering the Excited-State Maze from Light Absorption to Photocatalysis in Dye-Sensitized MOFs",
  "type": "preprint",
  "updated_at": "2026-10-30T12:18:00Z",
  "url": "https://research.draconitic.com/paper/d7y666ba09n1p",
  "venue": "arXiv",
  "versions": []
}