From coordination-induced tautomerism to therapeutics: Structural, supramolecular, and antimicrobial insights into a Hg (II)-thiosemicarbazone complex
Yazarlar (9)
Rizwana Begum Choudhury
Nagaland University, Hindistan
Nagaland University, Hindistan
Toufique Shahnowaz
Presidency University, Kolkata, Hindistan
Presidency University, Kolkata, Hindistan
Souryadeep Mukherjee
Presidency University, Kolkata, Hindistan
Presidency University, Kolkata, Hindistan
Nabajyoti Baildya
Milki High School, Hindistan
Milki High School, Hindistan
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
Nurul Alam Choudhury
Nagaland University, Hindistan
Nagaland University, Hindistan
Subhadip Roy
Icfaı University Tripura, Hindistan
Icfaı University Tripura, Hindistan
Prof. Dr. Sibel Demir Kanmazalp Gaziantep Üniversitesi, Türkiye
Suman Adhikari
Govt. Degree College, Hindistan
Govt. Degree College, Hindistan
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Journal of Molecular Structure (Q2) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2026) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2026 |
| Cilt / Sayı / Sayfa | 1360 / 1 / 145504– | DOI | 10.1016/j.molstruc.2026.145504 |
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| A new Hg(II) complex 1 was synthesised from a 3-methoxysalicylaldehyde-4-methylthiosemicarbazone ligand (H2L) via one-pot reaction and characterized by FT-IR, 1H NMR, mass spectroscopy, elemental analysis, and single-crystal X-ray diffraction analysis. The complex 1 adopts a distorted seesaw [HgN2S2] coordination geometry. Coordination to Hg(II) promotes a thione–thiol tautomeric conversion in the ligand (H2L), forming a deprotonated thiolate donor. Structural analysis, combined with Hirshfeld surface and enrichment ratio evaluations, unveiled that O⋯H and C⋯C contacts play dominant roles in supramolecular stabilization. Density Functional Theory (DFT) analysis suggests a substantial amount of charge transfer from H2L to Hg(II). These results highlight how the interplay between coordination-induced tautomerism and noncovalent forces governs the molecular organization of the Hg(II) complex … |
| Anahtar Kelimeler |
| "Mercury(ii) complex" | "Thiosemicarbazone" | "Hirshfeld" | "DFT studies" | "Antibacterial properties" |
Science Direct
From coordination-induced tautomerism to therapeutics: Structural, supramolecular, and antimicrobial insights into a Hg (II)-thiosemicarbazone complex
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 3 |
| Scopus | 3 |
| Google Scholar | 3 |