Synthesis and characterization of some binuclear metal complexes with a pentadentate azodye ligand: An experimental and theoretical study |
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| Authors: | Ashish Kumar Sarangi Bipin Bihari Mahapatra Ranjan Kumar Mohapatra Sisir Kumar Sethy Debadutta Das Lucia Pintilie Md. Kudrat-E-Zahan Mohammad Azam Hemanta Meher |
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| Affiliation: | 1. Department of Chemistry, School of Applied Sciences, Centurion University of Technology and Management, Odisha, India;2. P.G. Department of Chemistry, G.M. University, Sambalpur, Odisha, India;3. Department of Chemistry, Government College of Engineering, Keonjhar, Odisha, India;4. Department of Chemistry, Sukanti Degree College, Subarnapur, Odisha, India;5. Department of Synthesis of Bioactive Substances and Pharmaceutical Technologies, National Institute for Chemical & Pharmaceutical Research and Development, Bucharest, Romania;6. Department of Chemistry, Rajshahi University, Rajshahi, Bangladesh;7. Department of Chemistry, College of Science, King Saud University, Riyadh, Saudi Arabia;8. School of Chemistry, Sambalpur University, Burla, Odisha, India |
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| Abstract: | A novel series of binuclear complexes with Mn(II), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) ions derived from a pentadentate azo dye ligand (H3L) was synthesized and structurally investigated by various physicochemical analyses, namely, scanning electron microscopy, transmission electron microscopy, NMR, UV–visible spectroscopy, and Electron-Spin Resonance (ESR) studies. The infrared spectral data revealed characteristic bands due to ν(N=N) and ν(C=O) at 1606 and 1631 cm−1 in the free ligand. However, their positions shifted and appeared at ~1564 and ~1592 cm−1 on coordination, suggesting the involvement of carbonyl oxygen and azo nitrogen in complex formation. The spectral data suggested octahedral geometry for the complexes. The kinetic parameters such as order and activation energy were determined from the thermal decomposition values. X-ray powder diffraction analysis showed the orthorhombic nature of the cadmium complex. Furthermore, Density functional theory (DFT) calculations were also recorded to describe the insight bonding. The synthesized compounds were tested for in vitro antibacterial activity against K. aerogenes, S. aureus, B. acidoterrestris, E. coli, and V. cholerae strains by the cup-plate method. In addition, the interactions that occurred in the protein–ligand complexes have been predicted by docking analysis. |
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| Keywords: | antibacterial studies DFT calculations molecular docking studies pentadentate azodye ligand SEM study |
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