Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1084, Issue -, Pages 36-45Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2014.12.013
Keywords
Azo-dye Schiffs base complexes; Spectroscopic; Modeling; SEM/EDX; Antimicrobial activity
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Funding
- Deanship of Scientific Research at King Saud University [RGP-VPP-062]
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Nine mononuclear Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Pt(IV) complexes of azo-dye Schiff's base ligand were synthesized and determined by different physical techniques. All the nine metal complexes are reported using elemental analysis, molar conductance, magnetic susceptibility, IR, UV-Vis, thermal analysis and H-1 NMR, C-13 NMR, mass, SEM, TEM, EDX, XRD spectral studies. The molar conductance measurements of all the complexes in DMF solution correspond to non-electrolytic nature. All complexes were of the high-spin type and found to have six-coordinate octahedral geometry except the Cu(II) complex which was four coordinate, square planar. Quantum chemical calculations were performed with semi-empirical method to find the optimum geometry of the ligand and its complexes. In molecular modeling the geometries of azo-dye Schiff base ligand HL and its metal (II/III/IV) complexes were fully optimized with respect to the energy using the 6-31G basis set. These ligand and its metal complexes have also been screened for their in vitro antimicrobial activities. (C) 2014 Elsevier B.V. All rights reserved.
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