{
  "abstract": "Co-crystallization offers a versatile strategy to control solid-state fluorescence in organic fluorophores. Here, we demonstrate systematic emission tuning of a pyridine-based fluorophore via mechanochemical co-crystallization with aromatic carboxylic acids differing in positional isomerism and functional group multiplicity. Dicarboxylic acid coformers induced pronounced hypsochromic shifts, whereas tri- and hexa-carboxylic acids produced bathochromic shifts, spanning emission from sapphire blue to greenish yellow. Photophysical and structural analyses revealed that O–H···N hydrogen bonding and conformational twisting in dicarboxylic acid cocrystals reduced π-conjugation, increasing the HOMO-LUMO gap. In contrast, fluorophore cocrystals with tri- and hexa-carboxylic acids enhanced electron-accepting character and donor-acceptor interactions; the resulting increased planarity and charge-transfer stabilization lead to red-shifted emission. These findings show that subtle variations in coformer structure and supramolecular interactions enable precise tuning of solid-state emission, providing a rational route to advanced luminescent materials. MicroED, together with SCXRD, plays a crucial role in establishing structure-property correlations.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemistry",
    "Gauhati University",
    "Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka, Japan, 565-0871",
    "Graduate School of Frontier Biosciences, Osaka University, 1-3 Yamadaoka, Suita, Osaka, Japan, 565-0871",
    "Japan Synchrotron Radiation Research Institute (JASRI, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo, Japan, 679-5198",
    "Research Center of Basic Sciences, Engineering and High Altitude",
    "Taif University",
    "Institute for Open and Transdisciplinary Research Initiatives, Osaka University, 2-1 Yamadaoka, Suita, Osaka, Japan, 565-0871"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 8,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Nabadeep Kalita"
    },
    {
      "affs": [
        2,
        3
      ],
      "name": "Takanori Nakane"
    },
    {
      "affs": [
        2,
        3
      ],
      "name": "Akihiro Kawamoto"
    },
    {
      "affs": [
        4
      ],
      "name": "Kouhei Ichiyanagi"
    },
    {
      "affs": [
        5,
        6
      ],
      "name": "Khaled Althubeiti"
    },
    {
      "affs": [
        4
      ],
      "name": "Toshiyuki Sasaki"
    },
    {
      "affs": [
        2,
        3,
        7
      ],
      "name": "Genji Kurisu"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Ranjit Thakuria",
      "orcid": "0000-0002-0325-3316"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/ctqpp1sjg4gcv.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15010379/v1",
  "fulltext_url": null,
  "id": "ctqpp1sjg4gcv",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010379/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",
      "1606|Crystallography and molecular interactions"
    ]
  ],
  "openalex": "W7221626056",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010379/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-13",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/ctqpp1sjg4gcv.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:24Z",
      "native_id": "10.26434/chemrxiv.15010379",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010379/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1606|Crystallography and molecular interactions",
      "subfield": "physical"
    }
  ],
  "title": "MicroED Guided Structure Property Relationships in Mechanochemically Synthesized Fluorescent Cocrystals",
  "title_text": "MicroED Guided Structure Property Relationships in Mechanochemically Synthesized Fluorescent Cocrystals",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:24Z",
  "url": "https://research.draconitic.com/paper/ctqpp1sjg4gcv",
  "venue": "ChemRxiv",
  "versions": []
}