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Structural designing, spectral and computational studies of bioactive Schiff's base ligand and its transition metal complexes
Author(s) -
Gautam Seema,
Chandra Sulekh,
Rajor Hament,
Agrawal Swati,
Tomar Praveen Kumar
Publication year - 2018
Publication title -
applied organometallic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.53
H-Index - 71
eISSN - 1099-0739
pISSN - 0268-2605
DOI - 10.1002/aoc.3915
Subject(s) - chemistry , schiff base , ligand (biochemistry) , octahedral molecular geometry , transition metal , crystallography , metal , octahedron , electron paramagnetic resonance , stereochemistry , inorganic chemistry , crystal structure , organic chemistry , nuclear magnetic resonance , catalysis , biochemistry , receptor , physics
Abstract Transition metal complexes of Mn(II) and Ni(II) have been synthesized with novel bioactive Schiff's base ligand. Schiff's base ligand i.e. benzoylacetone‐bis(2‐amino‐4‐methylbenzothioazole) has been synthesized via condensation reaction between 2‐amino‐4‐methylbenzothioazole and benzoylacetone in 2:1 ratio, respectively. Synthesized ligand has been characterized using elemental analysis, infra‐red, 1 H–NMR and mass spectroscopy techniques. Characterization of complexes was based on magnetic moment, molar conductance, elemental analysis, electronic spectra, infra‐red and EPR spectroscopic techniques. Molar conductance data suggest that metal complexes are non‐electrolytic in nature. Therefore, these complexes are formulated as [M(L)X 2 ], where M = Mn(II), Ni(II), L = Schiff's base ligand, X = Cl − , CH 3 COO − , NO 3 − . Data of characterization study suggest octahedral geometry for Mn(II) and Ni(II) complexes. Geometry of metal complexes was also optimized with the help of computational study i.e. molecular modelling. Computational study also suggests octahedral geometry for complexes. Free ligand as well as its all metal complexes have been screened against the growth of pathogenic bacteria ( E.coli , S.aureus ) and fungi ( C.albicans , C.krusei , C.parapsilosis , C.tropicalis ) to assess their inhibition potential. The inhibition data revealed that metal complexes exhibit higher inhibition potential against the growth of bacteria and fungi microorganisms than free ligand.