Experimental and Quantum Mechanical Investigation of N-heterocyclic

dc.contributor.author	Slimani, I
dc.contributor.author	Zouaghi, MO
dc.contributor.author	Jebli, N
dc.contributor.author	Youssef, A
dc.contributor.author	Ozdemir, N
dc.contributor.author	Ozdemir, I
dc.contributor.author	Gurbuz, N
dc.contributor.author	Mansour, L
dc.contributor.author	Dridi, K
dc.contributor.author	Naceur, H
dc.date.accessioned	2023-01-02T08:53:03Z
dc.date.available	2023-01-02T08:53:03Z
dc.date.issued	2022
dc.identifier.uri	http://hdl.handle.net/11616/86906
dc.description.abstract	In 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.
dc.source	BIOINTERFACE RESEARCH IN APPLIED CHEMISTRY
dc.title	Experimental and Quantum Mechanical Investigation of N-heterocyclic
dc.title	Carbene Palladium Complex: Synthesis and Antibacterial Activity

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