Synthesis, Crystal Structure, Quantum Chemical Analysis, Electrochemical Behavior, and Antibacterial and Photocatalytic Activity of Co Complex with Pyridoxal-(S-Methyl)-isothiosemicarbazone Ligand

• Published in: Molecules (Basel, Switzerland) Vol. 27; no. 15; p. 4809
• Main Authors: Jevtović, Violeta, Hamoud, Haneen, Al-Zahrani, Salma, Alenezi, Khalaf, Latif, Salman, Alanazi, Tahani, Abdulaziz, Fahad, Dimić, Dušan
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 27-07-2022; MDPI
• Subjects: Anti-Bacterial Agents - pharmacology; Antibacterial activity; biological activity; Carbon dioxide; Catalytic activity; Chemical analysis; Co and Zn complexes; Cobalt; Cobalt compounds; Crystal structure; Crystallography; Crystallography, X-Ray; DFT; Electrochemical analysis; Electrochemistry; Escherichia coli; Free radicals; Geometry; Ligands; Metal ions; Methylene blue; Nitrates; Nitrogen; Photocatalysis; Pyridoxal; Reduction (metal working); Stability analysis; Staphylococcus aureus; Surface analysis (chemical); X ray analysis; Zinc; crystal structure; Co and Zn complexes; DFT; biological activity; catalytic activity
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules27154809

New complex Co(III) with ligand Pyridoxal-S-methyl-isothiosemicarbazone, (PLITSC) was synthesized. X-ray analysis showed the bis-ligand octahedral structure of the cobalt complex [Co(PLITSC-H)
]BrNO
·CH
OH (compound
). The intermolecular interactions governing the crystal structure were described by the Hirsfeld surface analysis. The structure of compound
and the corresponding Zn complex (([Zn(PLTSC)(H
O)
]SO
·H
O)) were optimized at the B3LYP/6-31 + G (d,p)/LanL2DZ level of theory, and the applicability was assessed by comparison with the crystallographic structure. The natural bond orbital analysis was used for the discussion on the stability of formed compounds. The antibacterial activity of obtained complexes towards
and
was determined, along with the effect of compound
on the formation of free radical species. Activity of compound
towards the removal of methylene blue was also investigated. The voltammograms of these compounds showed the reduction of metal ions, as well as the catalyzed reduction of CO
in acidic media.