Synthesis and theoretical study of Zinc(II) and nickel(II)- complexes of 5-methoxyisatin 3-[N-(4- chlorophenyl)thiosemicarbazone]

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dc.contributor.authorKandemirli F.
dc.contributor.authorSaracoglu M.
dc.contributor.authorBulut G.
dc.contributor.authorEbenso E.
dc.contributor.authorArslan T.
dc.contributor.authorKayan A.
dc.date.accessioned2019-08-01T13:38:39Z
dc.date.available2019-08-01T13:38:39Z
dc.date.issued2012
dc.departmentNiğde ÖHÜ
dc.description.abstractZinc(II) and nickel(II)-complexes of 5-methoxyisatin 3-[N-(4- chlorophenyl) thiosemicarbazone] (H 2MICP) were synthesized and characterized by infrared, ultraviolet and 1H-NMR spectroscopies as well as elemental analysis. Model of H 2MICP and its zinc(II) and nickel(II)-complexes were optimized with B3LYP method using 6-31G(d,p), 6-311G(d,p), 6-311++G(d,p), 6-311++G(2d,2p) basis sets. The calculated 1H-NMR, UV and IR spectra data were compared with experimental results. In addition to the Natural Bond Orbital (NBO) analysis of H 2MICP and its Zinc(II) and Nickel(II) complexes, Fukui functions of H 2MICP were also reported. © 2012 Published by LPPM ITB.
dc.identifier.doi10.5614/itbj.sci.2012.44.1.4
dc.identifier.endpage50
dc.identifier.issn1978-3043
dc.identifier.issue1
dc.identifier.scopus2-s2.0-84863493141
dc.identifier.scopusqualityN/A
dc.identifier.startpage35
dc.identifier.urihttps://dx.doi.org/10.5614/itbj.sci.2012.44.1.4
dc.identifier.urihttps://hdl.handle.net/11480/894
dc.identifier.volume44 A
dc.identifier.wosWOS:000215679500004
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthor[0-Belirlenecek]
dc.language.isoen
dc.relation.ispartofITB Journal of Science
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectDFT
dc.subjectIsatin thiosemicarbazones
dc.subjectZn (II) and Ni (II)-complexes
dc.titleSynthesis and theoretical study of Zinc(II) and nickel(II)- complexes of 5-methoxyisatin 3-[N-(4- chlorophenyl)thiosemicarbazone]
dc.typeArticle

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