European Journal of Chemistry

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

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Published: Sep 30, 2026
DOI: https://doi.org/10.5155/eurjchem.17.3.258-267.2799
Keywords:
DFT, Schiff base, Catalytic activity, Molecular docking, Antibacterial activity, Suzuki cross-coupling reaction
Section
Research Article
Issue
Vol. 17 No. 3 (2026): September 2026
Dates
Received 2026-04-21
Accepted 2026-08-14
Published 2026-09-30
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Uttam Kumar Singha
Department of Chemistry, University of North Bengal, Darjeeling-734013, India
https://orcid.org/0000-0003-4460-0676
Sudarshan Pradhan
Department of Chemistry, University of North Bengal, Darjeeling-734013, India
https://orcid.org/0000-0002-6963-8980
Pritika Gurung
Department of Chemistry, University of North Bengal, Darjeeling-734013, India
https://orcid.org/0000-0003-2074-0711
Kingkar Ghosh
Department of Chemistry, University of North Bengal, Darjeeling-734013, India
https://orcid.org/0009-0009-1616-3430
Sudeshna Nandi
Department of Tea Science, University of North Bengal, Darjeeling-734013, India
https://orcid.org/0000-0002-9656-1026
Tanmoy Dutta
Department of Chemistry, Jodh Ishwar Singh College of Engineering, Kalyani-741235, India
https://orcid.org/0000-0003-3669-5433
Malay Bhattacharya
Department of Tea Science, University of North Bengal, Darjeeling-734013, India
https://orcid.org/0000-0002-4066-2979
Biswajit Sinha
Department of Chemistry, University of North Bengal, Darjeeling-734013, India
https://orcid.org/0000-0003-0468-4035

Abstract

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.


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Singha, U. K.; Pradhan, S.; Gurung, P.; Ghosh, K.; Nandi, S.; Dutta, T.; Bhattacharya, M.; Sinha, B. 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. Eur. J. Chem. 2026, 17, 258-267.

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Supporting Agencies

Departmental Special Assistance Scheme under the University Grants Commission, New Delhi (SAP-DRS-III, No. 540/12/DRS/2013), India.
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