Syntheses, crystal structures, DNA binding, DNA cleavage and DFT study of Co(iii) complexes involving azo-appended Schiff base ligands

abstract

Herein, we have reported three new Co(iii) complexes involving azo-appended Schiff base ligands. All three complexes were characterized using different spectroscopic tools like NMR, FTIR and UV-Vis. The structures of the complexes 1-3, were confirmed by single crystal X-ray diffraction analysis. DFT and TDFFT computations were performed to support the structural and electronic parameters of the complexes. Computed bond distances and angles well resemble those of X-ray data. Absorption and viscometric titration studies revealed that each of these octahedral complexes interacts with CT DNA to result in minor groove binding. The intrinsic binding constants (K-b) were calculated to be 7.90 x 10(5), 1.35 x 10(5) and 1.075 x 10(5) M-1, respectively, for complexes 1-3. Complexes 1-3 also exhibited oxidative DNA cleavage activity in the presence of hydrogen peroxide.

keywords

DENSITY-FUNCTIONAL THEORY; EFFECTIVE CORE POTENTIALS; ASYMMETRIC TRIDENTATE LIGANDS; SET MODEL CHEMISTRY; MOLECULAR CALCULATIONS; METAL-COMPLEXES; IN-VITRO; RUTHENIUM(II) COMPLEXES; POLYPYRIDYL COMPLEXES; EXCITATION-ENERGIES

subject category

Chemistry

authors

Banerjee, S; Patra, R; Ghorai, P; Brandao, P; Chowdhury, SG; Karmakar, P; Saha, A

our authors

acknowledgements

A. S. gratefully acknowledges the financial support of this work by the DST, India (Sanction No. SB/EMEQ-159/2013, dated 10.10.2013).

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