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

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...

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Bibliographic Details
Published in:Molecules (Basel, Switzerland) Switzerland), 2022-07, Vol.27 (15), p.4809
Main Authors: Jevtović, Violeta, Hamoud, Haneen, Al-Zahrani, Salma, Alenezi, Khalaf, Latif, Salman, Alanazi, Tahani, Abdulaziz, Fahad, Dimić, Dušan
Format: Article
Language:English
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
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Summary: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.
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules27154809