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

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Slimani I., Zouaghi M. O., Jebli N., Youssef A., ÖZDEMİR N., ÖZDEMİR İ., ...Daha Fazla

BIOINTERFACE RESEARCH IN APPLIED CHEMISTRY, cilt.12, sa.6, ss.7804-7816, 2022 (ESCI) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 12 Sayı: 6
  • Basım Tarihi: 2022
  • Doi Numarası: 10.33263/briac126.78047816
  • Dergi Adı: BIOINTERFACE RESEARCH IN APPLIED CHEMISTRY
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.7804-7816
  • Anahtar Kelimeler: DFT, N-heterocyclic carbene, palladium, PEPPSI complex, X-ray crystallography, CROSS-COUPLING REACTIONS, NHC
  • İnönü Üniversitesi Adresli: Evet

Özet

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.