Synthesis, Characterization, Biological Potency, and Molecular Docking of Co²⁺, Ni²⁺, and Pd²⁺ Complexes Derived From Carbohydrazone Ligand and Its Application in Dye Removal

Abstract

As a result of the Schiff base condensation reaction between carbohydrazide and 4‐aminoacetophenone, novel HL ligand [(Z)‐N′‐((Z)‐1‐(4‐aminophenyl)ethylidene)‐2‐(1‐(4‐aminophenyl)ethylidene)hydrazine‐1‐carbohydrazide] and three coordination compounds were successfully obtained with the formulas of [Co2(L)(Cl)3(H2O)].Cl, [Ni2(L)(Cl)2(H2O)2].Cl.H2O, and [Pd (HL)(Cl)(H2O)].Cl, the obtained structures were analyzed using analytical and spectroscopic techniques such as Fourier‐transform infrared (FT‐IR), NMR, UV–Vis, molar conductivity, elemental analysis, and magnetic susceptibility measurements. Additionally, thermal stabilities, kinetic, and thermodynamic parameters were estimated utilizing thermogravimetric analysis. The structures were confirmed through quantum chemical computations. The antioxidant, anticancer, and antimicrobial biological efficacies of the ligand and its metal chelates were assessed. The ligand shows optimistic results as an antioxidant, while Co2+ and Pd2+ complexes showed the highest antimicrobial activities. The DNA binding affinity and cleavage of the isolated compounds were evaluated. Furthermore, the fluorescence spectrum of ligand in the absence and presence of Co2+ was recorded in order to investigate the interaction affinity along with the limit of detection. Another application of this work is the removal of methylene blue and crystal violet dyes from wastewater and reusability, through an inventive synthesis of a cellulose‐based material “LDC” Schiff base.