Synthesis, electrochemical, and quantum chemical studies of some metal complexes: Mn(II), Co(II), and Zn(II) with 2-furaldehyde semicarbazone

Abstract

In this study, we conducted experimental and computational investigations of a Schiff base and its metal complexes. The azote atom coordinates with the metal according to the FT-IR spectra. Powder X-ray Diffraction experiments show that the crystalline nature of metal complexes is responsible for their enhanced crystallinity. X-ray photoelectron spectroscopy shows that the binding energy of the nitrogen atom's 1s electrons is increased in metal complexes due to complexation. Cyclic voltammograms were used to determine the electroactivity of the ligand and its complexes in a solution of 10−1M DMSO/tetrabutylammonium hexafluorophosphate (NBu4PF6). The DPPH radical scavenging assay was used to determine the compounds' effectiveness as antioxidants. Transition metal complexes were much more effective than the free ligand FSC at scavenging DPPH radicals. The three investigated complexes have been analyzed as theoretical proof of the metal's bonding potential in the environment.