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synthesis, characterization, dft modeling and biological studies of new co(ii), ni(ii) and cu(ii) 4,6-bis(4-chlorophenyl)-2-amino-1,2-dihydropyridine-3-carbinitrile complexes
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نویسنده
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zordok w. a. ,sadeek s. a. ,el-farargy a. f.
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منبع
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journal of the iranian chemical society - 2017 - دوره : 14 - شماره : 12 - صفحه:2529 -2547
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چکیده
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Three new metal complexes of 4,6-bis(4-chlorophenyl)-2-amino-1,2-dihydropyridine-3-carbinitrile (l) with co(ii), ni(ii) and cu(ii) were synthesized and characterized with physicochemical and spectroscopic techniques. the data suggest that (l) acts as a bidentate ligand bound to the divalent metal ions through amino n and carbinitrile n atoms having [m(l)2(h2o)2]2+ formula (m = metal ions). the theoretical parameters, model structures, charges and molecular orbitals of all possible complexes have been determined using density functional theory. the energy gap of free ligand is ∆e = 0.12565 ev, and this value is greater than energy gap of complexes, which indicates that the complexes are more reactive than free ligand. also, ∆e of co(ii) complex is lower than other complexes, which indicates that co(ii) complex is more reactive than ni(ii) and cu(ii) complexes. the antibacterial and antifungal activities of the ligand, metal salts and its complexes were tested against some microorganisms (bacteria and fungi). the complexes showed increased antibacterial and antifungal profile in comparison with the free ligand.
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کلیدواژه
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pyridine derivative ,metal complexes ,spectra ,dft ,antimicrobial study
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آدرس
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zagazig university, faculty of science, department of chemistry, egypt. university college of quanfudha, umm al-qura university, department of chemistry, saudi arabia, zagazig university, faculty of science, department of chemistry, egypt, zagazig university, faculty of science, department of chemistry, egypt
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Authors
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