Abstract
A simple green strategy was efficiently used for quantitative solvent-free synthesis of Cd (II) and Zn (II) complexes by using ball milling technique. The produced complexes were illustrated by using various spectroscopic (1H &13C NMR, IR, EDX, TEM, SEM) and analytical techniques. The octahedral geometry was proposed for such diamagnetic complexes having 1:2 (M:L) molar ratio through mono-negative tri-dentate binding mode. Conformational study was carried out by applying DFT, to predict the optimized configuration for the tested compounds. Surface properties were studied by using Crystal explorer 3.1 software as well as VESTA package. The molecular packing was appeared strong and closely contact within the ligand and Zn(II) complex crystals. The 2D-fingerprint plots displayed the favourable contribution of carbon and oxygen atoms in packing systems. Moreover, the in-vitro antimicrobial assay via MIC technique revealed the moderate or ineffective behaviour predominantly. Such was confirmed through docking simulation approach. The antioxidant assay displayed a promising behaviour in scavenging free radicals that appeared obviously with the two complexes. Also, antitumor assay towards HCT-116 cell line reveals the effectiveness of the two complexes. Finally, the kinetic parameters for Zn (II) were evaluated by applying cyclic voltammetry technique in the absence/presence of ligand using a glassy carbon electrode.
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•Green synthesis for new Schiff base complexes from Zn(II) and Cd(II) ions.•Spectroscopic and analytical characterization.•Conformational study was executed to estimate significant data.•Cyclic voltammetry was studied in details about Zn(II) in solution.•Crystal packing features were established using sophisticated programs; in-silico and in-vitro studies.