New mono- and polynuclear copper(II) complexes: Structural characterization, quantum chemical calculations and antioxidant superoxide dismutase studies

Patel, R N; Patel, Satish Kumar; Kumhar, Dinesh ; Patel, Nirmala ; Butcher, Raymond J


Two copper(II) complexes have been synthesized and characterized using elemental and spectral analysis. The molecular structures of both complexes have been confirmed by single crystal X-ray analysis. The stability of the metal centre was examined using cyclic and differential pulse voltammetry in DMSO solution. X-band electron paramagnetic spectra were recorded both in solid and frozen solution to confirm the d9 configuration. Frozen solution spectra of complexes have the trend in the spin Hamiltonian parameters  and  cm-1 revealing a  ground state with tetragonal symmetry for copper(II) ion. Density functional calculations have been performed and results are found to agree with the experimental results. Antibacterial activities of complexes were screened by taking gram-positive and gram-negative bacteria. Further, in vitro antioxidant (superoxide dismutase) properties of 1 and 2 showed considerable activity compared to other SOD mimics.


Single crystal X-ray, Cu(II) complex, Superoxide dismutase, Hirshfeld analysis, Biological activity

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