Syntheses, crystal structures, DNA binding, DNA cleavage and DFT study of Co(iii) complexes involving azo-appended Schiff base ligands
authors Banerjee, S; Patra, R; Ghorai, P; Brandao, P; Chowdhury, SG; Karmakar, P; Saha, A
nationality International
journal NEW JOURNAL OF CHEMISTRY
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
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.
publisher ROYAL SOC CHEMISTRY
issn 1144-0546
year published 2018
volume 42
issue 20
beginning page 16571
ending page 16582
digital object identifier (doi) 10.1039/c8nj02235f
web of science category Chemistry, Multidisciplinary
subject category Chemistry
unique article identifier WOS:000447975700020
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