Synthesis, characterization, and theoretical studies of the new antibacterial Zn(II) complexes from new fluorescent Schiff bases prepared by imidazo[4',5':3,4]benzo[1,2-c]isoxazole

Document Type: Research Article


1 Young Researchers and Elite Club, Mashhad Branch, Islamic Azad University, Mashhad, Iran

2 Department of Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, Iran


The novel fluorescent heterocyclic bidentate ligands have been synthesized by the high yields reaction of 8-(4-chlorophenyl)-3-Iso-butyl-3H-imidazo[4',5':3,4]benzo[1,2-c]isoxazol-5-amine with p-hydroxybenzaldehyde and p-chlorobenzaldehyde. The ligands reacted with Zn(II) ion to gained novel complexes. The optical properties of these structures were checked and the outcomes represented that they showed interesting photophysical properties. Optimized geometries and assignment of the IR bands and NMR chemical shifts of the new complexes were also computed by using density functional theory (DFT) methods that were in good agreement with the experimental values, confirming suitability of the optimized geometries for Zn(II) complexes. These new compounds have shown potent antibacterial properties and their antibacterial activity (MIC) against Gram-positive and Gram-negative bacterial species were also specific.


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