Conjoint experimental–theoretical evaluation of pyrone-salicylic acid hydrazide copper(II) Schiff base complexes: their synthesis, SOD and electrochemical fronts

ABSTRACT

Superoxide dismutase in relation to Alzheimer's disease can be thought as the basis for the development of copper coordination complexes designed as radiopharmaceuticals to assist in the diagnosis/treatment of this disorder. In such a fascination, a systematic study of a series of three Cu(II)-N-dehydroacetic acid-salicylic acid hydrazide (H₂dha-shz) Schiff base complexes, based on hyphenated experimental and theoretical approach, having the general composition formula as [Cu(dha-sahz)(L)], where L is H₂O, imidazole (imdH)] or benzimidazole (bimdH) is presented. Theoretical calculations have been performed for one of the representative complexes containing imidazole as a co-ligand. B3LYP/LANL2DZ combination was used to carry out the required calculations. From the study, a suitable square planar geometry has been found for the complexes under investigation. In addition to the density functional theory (DFT)-experimental formulation of target metallic systems, superoxide dismutation and electroactivity were also determined to add valuable interests to the objective of the study. The results have shown satisfactory superoxide scavenging potential and redox flexibility among the complexes. Moreover, theoretical charge topography analysis has also been discussed in relation to the biological effect.

Keywords:

• Copper(II)
• B3LYP/LANL2DZ
• SOD
• spectroscopy

Acknowledgments

The authors are thankful to Prof. Kapil deo Mishra, Vice Chancellor, Rani Durgavati University, Jabalpur, Madhya Pradesh, India for developing the lab infrastructure of our department. Analytical facilities provided by the Central Drug Research Institute, Lucknow, India, and the Regional Sophisticated Instrumentation Centre, Indian Institute of Technology, Mumbai, India, are gratefully acknowledged.

Disclosure statement

No potential conflict of interest was reported by the authors.