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This work deals with the synthesis and characterization of a series of three N-Dehydroacetic acid-4-phenyl-3-thiosemicarbazide (H 2 dha-ptsc) Schiff base Cu(II) complexes based on combined experimental and theoretical approach, having the general composition formula as [Cu(dha-ptsc)(L-L)], where L-L is H 2 O, 2,2-bipyridine (bipy) or 1,10-phenanthroline (phen). H 2 O containing complex acts as origin for the latter two complexes and in due course, the geometry of the complex changes from square planar to square pyramidal. DFT calculations were carried out for both the geometrical forms. B3LYP/LANL2DZ level of theory was used to carry out the required computations. From the overall DFT computations, square pyramidal geometry was found to be more stable as compared to the square planar conformation for the complexes under investigation. Super oxide dismutation, thermal behaviour and electrochemical activity were also studied. The results have shown satisfactory super oxide scavenging potential, high degree of thermal resistance and efficient redox properties for the title complexes. Moreover, charge analysis and nonlinear optical properties were computed to establish a comprehensive note of atomic constituents differing in nature of charge delocalization.

Corrosion - a big worldwide issue that destroys metal as its interaction takes place with the atmosphere. In recent years, polymer Nanocomposite coatings emerge as eminent materials for corrosion resistance. Coating means to deploy a layer over the metal interface that provides a shield to metal against corrosion. Polymer Nanocomposites are economic, Eco friendly, exhibits great mechanical strength, self-healing property, durability, chemical inhibition, and thermal stability that is the reason they have been widely used in various fields like an oil field, marine, defense, engineering industry and health industry too as corrosion inhibitors. In this review, the application of various polymer Nano-composites materials for corrosion inhibition with synthesis technique through reported materials are explored also we are identifying challenges that occur for the development of such Nanostructure coatings and overcoming that challenge for the future aspect of this field.