Structural Characterization, DFT Geometry Optimization, Cyclic Voltammetry and Biological Assay of (Tellurite-pyridine) Mixed Ligandcomplexesof Cd(II)

Abstract

This research work presents spectral characterizations (IR, 1H NMR and 13C NMR) of anionic tellurito Cd(II) complexes that prepared using cyanopyridine derivatives as a polydentate ligands. Also, X-ray based techniques involving (EDX and XRD) are applied for cadmium complexes to realize elemental composition and average crystallographic coherence. Moreover, the electrochemical studies represented on cyclic voltammetry are determined for Cd)II) in (absence/presence) of ligands to detect the role of complexation in solution measurements. All the previous experimental investigations are supported with molecular modeling of the geometric optimized structures based on density function theory (DFT) for all compounds accompanied by the calculations of different energetic parameters such as EHOMO and ELUMO. Finally, anti-microbial (antibacterial and antifungal), anti-oxidant and Bleomycin dependent DNA damage are screened for all samples to predict the influence of metal complex formation on the biological activity of pyridyl ligands besides their priority.