{
  "abstract": "Single crystals of bis(thiourea) lead dinitrate (BTD) were successfully grown by the slow evaporation solution growth technique. Single-crystal X-ray diffraction analysis revealed that BTD crystallizes in the centrosymmetric monoclinic crystal system with the space group P21/c. The phase purity and crystallinity of the grown crystals were confirmed by powder X-ray diffraction, while Fourier transform infrared (FTIR) spectroscopy verified the coordination of thiourea molecules with Pb2+ ions through characteristic vibrational bands. Surface morphology examined by scanning electron microscopy (SEM) showed well-developed crystal facets with only minor growth defects. Thermogravimetric and differential thermal analyses demonstrated that the crystal is thermally stable up to 188 °C. Diffuse reflectance spectroscopy (DRS) indicated excellent optical transparency in the visible region with an optical band gap of 3.27 eV, highlighting the material’s suitability for photonic applications. Photoluminescence studies exhibited an intense blue emission centered at 392 nm. Density functional theory (DFT) calculations, complemented by quantum theory of atoms in molecules (QTAIM), non-covalent interaction–reduced density gradient (NCI–RDG), electron localization function (ELF) and interaction region indicator (IRI) analyses, were performed to investigate the electronic band structure, density of states, molecular polarizability, and first-order hyperpolarizability, as well as the Pb(II) coordination environment and intermolecular interactions, providing insight into the electronic transitions governing the optical response. Hirshfeld surface and two-dimensional fingerprint analyses revealed that the crystal packing is predominantly stabilized by O···H/H···O hydrogen-bonding interactions. The third-order nonlinear optical properties were evaluated using the Z-scan technique, which demonstrated positive nonlinear refraction, self-focusing behavior, and significant nonlinear absorption, with a third-order nonlinear susceptibility of 0.9909 × 10−13 esu. Furthermore, the crystal exhibited efficient optical limiting with a threshold of 24.44 J cm−2, indicating that BTD is a promising candidate for nonlinear photonic and optical limiting applications. The potential application of these materials also highlights the importance of resource efficiency and sustainable manufacturing in future materials development.",
  "abstract_shown": true,
  "affiliations": [
    "Faculty of Health and Life Sciences, INTI International University, Persiaran Perdana BBN, Putra Nilai, Nilai 71800, Negeri Sembilan, Malaysia",
    "Department of Chemistry, Er. Perumal Manimekalai College of Engineering, Hosur 635117, Tamilnadu, India",
    "Department of Chemistry, CMR Technical Campus, Kandlakoya, Medchal, Secunderabad 501401, Telangana, India",
    "Institute of General and Inorganic Chemistry, Academy of Sciences of the Republic of Uzbekistan, Tashkent 100170, Uzbekistan",
    "Chemistry Division, Department of H&S, CVR College of Engineering, Vastunagar, Mangalpalli Village, Rangareddy District, Ibrahimpatnam 501510, Telangana, India",
    "Department of Chemistry, Faculty of Science, Islamic University of Madinah, Madinah 42351, Saudi Arabia",
    "Faculty of Engineering and Technology, Shinawatra University, Pathum Thani 12160, Thailand",
    "Department of Organic Chemistry, Faculty of Pharmaceutical Sciences, The Medical University of Silesia, Jagiellońska 4, 41-200 Sosnowiec, Poland"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 9,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Jayanthi Barasarathi"
    },
    {
      "affs": [
        1
      ],
      "name": "Sivaraman Shanmugam"
    },
    {
      "affs": [
        2
      ],
      "name": "A. Aditya Prasad"
    },
    {
      "affs": [
        3
      ],
      "name": "Palusamy Suppuraj",
      "orcid": "0009-0005-5860-1962"
    },
    {
      "affs": [
        4
      ],
      "name": "Kasi Venkatesan",
      "orcid": "0000-0001-8010-0009"
    },
    {
      "affs": [
        5
      ],
      "name": "Maher Fathalla",
      "orcid": "0000-0001-9997-2333"
    },
    {
      "affs": [
        6
      ],
      "name": "Potchanun Sripothong",
      "orcid": "0009-0007-7449-9421"
    },
    {
      "affs": [
        7
      ],
      "name": "Malgorzata Jeleń",
      "orcid": "0000-0002-4144-990X"
    },
    {
      "affs": [
        7
      ],
      "name": "Beata Morak Młodawska",
      "orcid": "0000-0001-5389-1079"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/0ngdyw1x6gbgs.bib",
  "cited_by": 0,
  "doi": "10.3390/molecules31213865",
  "fulltext_url": null,
  "id": "0ngdyw1x6gbgs",
  "issns": [
    "1420-3049"
  ],
  "landing_url": "https://www.mdpi.com/1420-3049/31/21/3865",
  "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",
      "2504|Nonlinear Optical Materials Research"
    ]
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  "openalex": "W7223944049",
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-26",
  "publisher": "MDPI AG",
  "ris": "https://research.draconitic.com/paper/0ngdyw1x6gbgs.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:42Z",
      "native_id": "10.3390/molecules31213865",
      "source": "crossref",
      "url": "https://www.mdpi.com/1420-3049/31/21/3865"
    }
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  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2504|Nonlinear Optical Materials Research",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Growth, Crystal Structure, Optical Limiting and Third-Order Nonlinear Optical Properties of Bis(Thiourea) Lead Dinitrate",
  "title_text": "Growth, Crystal Structure, Optical Limiting and Third-Order Nonlinear Optical Properties of Bis(Thiourea) Lead Dinitrate",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:18:42Z",
  "url": "https://research.draconitic.com/paper/0ngdyw1x6gbgs",
  "venue": "Molecules",
  "versions": []
}