Experimental and quantum mechanical investigation of n-heterocyclic carbene palladium complex: Synthesis and antibacterial activity

dc.contributor.author	Slimani, I.
dc.contributor.author	Zouaghi, M.O.
dc.contributor.author	Jebli, N.
dc.contributor.author	Youssef, A.
dc.contributor.author	Özdemi, N.
dc.contributor.author	Özdemir, I.
dc.contributor.author	Gürbüz, N.
dc.contributor.author	Mansour, L.
dc.contributor.author	Dridi, K.
dc.contributor.author	Naceur, H.
dc.date.accessioned	2022-10-06T12:54:09Z
dc.date.available	2022-10-06T12:54:09Z
dc.date.issued	2022
dc.identifier.issn	20695837 (ISSN)
dc.identifier.uri	http://hdl.handle.net/11616/71971
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. © 2021 by the authors.
dc.source	Biointerface Research in Applied Chemistry
dc.title	Experimental and quantum mechanical investigation of n-heterocyclic carbene palladium complex: Synthesis and antibacterial activity

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