Experimental and Quantum Mechanical Investigation of N-heterocyclic Carbene Palladium Complex: Synthesis and Antibacterial Activity

Slimani, IchrafZouaghi, Mohamed OussamaJebli, NejibYoussef, ArfaouiOzdemir, NamikOzdemir, IsmailGurbuz, Nevin2024-08-042024-08-0420222069-5837https://doi.org/10.33263/BRIAC126.78047816https://hdl.handle.net/11616/100390In this study, we report the synthesis, characterization, and biological activity of Pd-NHC-PEPPSI complex 2a. Further confirmations of structural details were provided by a single-crystal X-ray. A single crystal of 2a shows that the coordination geometry around Pd slightly distorted square-planar geometry. Intermolecular interactions have been studied through the NBO analyses. Structural parameters and spectroscopic properties of the complexes are well interpreted by DFT and TD-DFT calculations. Moreover, the complex 2a showed a remarkable antimicrobial effect against Micrococcus luteus LB 14110mm, Listeria monocytogenes ATCC 19117, Salmonella typhimurium ATCC 14028, Staphylococcus aureus ATCC 6538, Pseudomonas aeruginosa, and Candida albicans.eninfo:eu-repo/semantics/openAccessDFTN-heterocyclic carbenepalladiumPEPPSI complexX-ray crystallographyExperimental and Quantum Mechanical Investigation of N-heterocyclic Carbene Palladium Complex: Synthesis and Antibacterial ActivityArticle1267804781610.33263/BRIAC126.780478162-s2.0-85122042711Q3WOS:000756621400046N/A