2026-09-30T14:35:41Z https://www.eurjchem.com/index.php/eurjchem/oai

oai:ojs.www.eurjchem.com:article/2799 2026-09-30T06:12:07Z eurjchem:ART driver

Synthesis, characterization, and DFT study of a Pd(II) Schiff base complex: Exploration of its catalytic efficacy in the Suzuki cross-coupling reaction and its antibacterial activity Singha, Uttam Kumar Pradhan, Sudarshan Gurung, Pritika Ghosh, Kingkar Nandi, Sudeshna Dutta, Tanmoy Bhattacharya, Malay Sinha, Biswajit DFT Schiff base Catalytic activity Molecular docking Antibacterial activity Suzuki cross-coupling reaction A Schiff base ligand (H2L) was synthesized by condensation of 3,3′-methylenedianiline with 2-hydroxy-1-naphthaldehyde under reflux conditions. Subsequently, the corresponding palladium(II) complex was prepared by reacting the ligand with palladium(II) acetate in a 1:1 molar ratio. The structures of both the ligand and its Pd(II) complex were characterized by elemental analysis, NMR, mass spectrometry, UV-vis spectroscopy, and FT-IR spectroscopy. Density functional theory calculations were performed to optimize the molecular structure and evaluate its electronic properties, providing further insight into the stability of the complex. The catalytic performance of the Pd(II) complex was investigated in the Suzuki cross-coupling reaction conducted in an aqueous medium. In addition, the in vitro antibacterial activities of the free ligand and the Pd(II) complex were evaluated against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Klebsiella pneumoniae. Molecular docking was used to explore possible protein-complex interaction modes; these calculations were not treated as independent confirmation of the antibacterial results. Atlanta Publishing House LLC 2026-09-30 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf https://www.eurjchem.com/index.php/eurjchem/article/view/2799 10.5155/eurjchem.17.3.258-267.2799 European Journal of Chemistry; Vol. 17 No. 3 (2026): September 2026; 258-267 2153-2257 2153-2249 eng https://www.eurjchem.com/index.php/eurjchem/article/view/2799/3065 Copyright (c) 2026 Uttam Kumar Singha, Sudarshan Pradhan, Pritika Gurung, Kingkar Ghosh, Sudeshna Nandi, Tanmoy Dutta, Malay Bhattacharya, Biswajit Sinha https://creativecommons.org/licenses/by-nc/4.0