SPECTROSCOPIC CHARACTERIZATION AND MOLECULAR MODELING OF BIOACTIVE PYRIDINE CARBOXYAMIDE COMPLEXES..

The carboxyamide ligand N, N'-bis(2-carboxy-1-oxopropanyl) pyridine 2,6- diamine (L) and its Co(II), Ni(II), and Cu(II) complexes were synthesised and described using spectroscopic, magnetic, electrochemistry, powder XRD, molecular modelling, and biological studies. Metal ion couples with carboxyamide ligand via amide and carboxylate oxygen, according to infrared spectral data. The TOF mass spectrum, with its series of peaks corresponding to the numerous fragments, gives the impression of the desired compound's gradual disintegration. The square-based geometry is supported by electronic spectra and magnetic susceptibility measurements for complexes. The electron paramagnetic resonance of the Cu(II) complex is g > g > 2.03, indicating that unpaired electrons are primarily found in the dx2-y2 ground state, which supports square planar architecture. The voltammograms of the Ni(II) and Cu(II) complexes indicate a quasi-reversible redox process and a simple one electron process, respectively, that can be attributed to the Ni(II)/Ni(III) and Cu(II)/Cu(I) couples. The crystal structure and space group of the complexes can be determined using powder x-ray diffraction data. The complexes' molecular structure has been optimised using molecular modelling, which theoretically validates the complexes' geometry. To assess the compounds' antibacterial activity, they were tested against Streptococcus, Staph, Staphylococcus aureus, and Escherchia coli bacteria.

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