Add time:08/09/2019         Source:sciencedirect.com

Novel polymeric complexes with a potentially bidentate ligand N-[β-(ethylamino)] acrylamide (EA), formed by amidation of 1,2-diaminoethane with acryloyl chloride were synthesized and characterized on the basis of elemental analyses, IR, 1H NMR, UV–Vis, magnetic susceptibility measurements, ESR, molar conductance and thermal analysis. Molecular docking was used to predict the binding between EA ligand (keto and enol forms) and the receptor of prostate cancer mutant 2q7k-hormone and the receptor of breast cancer mutant 3hb5-oxidoreductase. The molecular and electronic structures of the different forms of the ligand are optimized theoretically and the quantum chemical parameters are calculated. The molar conductance data reveal that all the polymer complexes are non-electrolytes. Ligand (EA) has been shown to behave as neutral bidentate via its nitrogen atom of NH2 group and nitrogen atom of NH group in polymer complexes. On the basis of electronic spectral data and magnetic susceptibility measurements, suitable geometry has been proposed for each polymeric complex. The ESR spectral data of the Cu(II) complex showed that the metal-ligand bonds have considerable covalent character. The activation energies of the degradation of the polymer complexes were calculated.

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