Zn(II) complexes containing O,N,N,O-donor Schiff base ligands: synthesis, crystal structures, spectral investigations, biological activities, theoretical calculations and substitution effect on structures

New zinc(II) Schiff base complexes (Z1 and Z2) were prepared through the treatment of ONNO tetradentate Schiff base ligands (H 2 L 1 and H 2 L 2 ) with zinc acetylacetonate. Elemental analysis (C, H and N) and other spectroscopic techniques such as FT-IR and 1 H NMR were used to characterize the pro...

Full description

Saved in:
Bibliographic Details
Published in:Journal of coordination chemistry 2021-12, Vol.74 (16), p.2720-2740
Main Authors: Kargar, Hadi, Fallah-Mehrjardi, Mehdi, Ashfaq, Muhammad, Munawar, Khurram Shahzad, Tahir, Muhammad Nawaz, Behjatmanesh-Ardakani, Reza, Amiri Rudbari, Hadi, Adabi Ardakani, Amir, Sedighi-Khavidak, Samaneh
Format: Article
Language:English
Subjects:
Antiinfectives and antibacterials
biological activities
Biological properties
Chemical analysis
Coliforms
Crystal structure
Dimers
E coli
Imines
Ligands
Mathematical analysis
NMR
Nuclear magnetic resonance
Oxygen atoms
Pseudomonas aeruginosa
SC-XRD
Schiff base
Single crystals
theoretical calculations
Zinc
Zinc complex
Zinc compounds
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:New zinc(II) Schiff base complexes (Z1 and Z2) were prepared through the treatment of ONNO tetradentate Schiff base ligands (H 2 L 1 and H 2 L 2 ) with zinc acetylacetonate. Elemental analysis (C, H and N) and other spectroscopic techniques such as FT-IR and 1 H NMR were used to characterize the produced ligands and their associated Zn(II) complexes. The structure of Z1 was explored by single crystal X-ray diffraction analysis. The structural investigations of Z1 demonstrate that it exists in the form of a centrosymmetric dimer in which penta coordinated Zn(II) ions are inter connected via µ-phenoxo bridges from one of the phenolic oxygen atoms of each tetradentate Schiff base ligand to the opposite zinc(II) ions. The theoretical calculations, performed by DFT using the B3LYP/Def2-TZVP level of theory, directed that the intended outcomes are in compliance with the actual consequences. The nature and types of non-covalent interactions present among the sample molecules were also investigated by using QTAIM and NCI calculations. Furthermore, antimicrobial activities of the synthesized Schiff base ligands and their respective zinc(II) complexes were also examined against two Gram-positive (Staphylococcus aureus and Bacillus cereus) and two Gram-negative (Escherichia coli and Pseudomonas aeruginosa) bacteria, and two fungal species (Aspergillus brasiliensis and Candida albicans). The agar well diffusion method and poisoned media technique were used for the study of biological properties of bacterial and fungi species, respectively. According to assessments of inhibitory zones, metal chelates are found to be somewhat more efficient than free ligands.
ISSN:0095-8972
1029-0389
DOI:10.1080/00958972.2021.1990271