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Some Molecular Properties and Reaction Mechanism of Synthesized Isatin Thiosemicarbazone and Its Zinc(II) and Nickel(II) Complexes

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dc.contributor.authorVurdu, Can Doğan
dc.contributor.authorAkkaya, Yusuf
dc.contributor.authorÇavuş, Muhammed Serdar
dc.contributor.authorKandemirli, Fatma
dc.contributor.authorSaraçoğlu, Murat
dc.date.accessioned2026-01-02T23:19:40Z
dc.date.issued2015-01-10
dc.description.abstract<p>The aim of this study is to 1H-Indole-2,3-dione 3-[N-(4-fluorophenyl)-thiosemicarbazone and its&nbsp;zinc(II) and nickel(II) complexes. The structures of the synthesized compounds were confirmed by&nbsp;spectral data and elemental analysis. They were optimized by B3LYP theory with different basis&nbsp;sets. The optimized structures were compared with the experimental values. TD-DFT calculationson electronic absorption spectra in gas phase and DMSO were performed to determine the&nbsp;electronic transitions of the compounds. The Frontier Molecular Orbital analysis were also done in<br />order to identify the charge transfer interaction that takes place between the molecular orbitals.&nbsp;Reaction mechanism of 1H-indole-2,3-dione-3-(N-4-fluorophenyl&nbsp;thiosemicarbazone) molecules&nbsp;were also studied.</p>
dc.description.urihttps://doi.org/10.9734/irjpac/2015/17626
dc.description.urihttps://avesis.erciyes.edu.tr/publication/details/603bc0a5-8642-4b29-91d9-bf5d741e29db/oai
dc.identifier.doi10.9734/irjpac/2015/17626
dc.identifier.eissn2231-3443
dc.identifier.endpage16
dc.identifier.openairedoi_dedup___::d11ff422e1a4bf8d383f52e56029d710
dc.identifier.orcid0000-0003-4027-9643
dc.identifier.startpage1
dc.identifier.urihttps://hdl.handle.net/20.500.12597/35941
dc.identifier.volume9
dc.publisherSciencedomain International
dc.relation.ispartofInternational Research Journal of Pure and Applied Chemistry
dc.rightsOPEN
dc.titleSome Molecular Properties and Reaction Mechanism of Synthesized Isatin Thiosemicarbazone and Its Zinc(II) and Nickel(II) Complexes
dc.typeArticle
dspace.entity.typePublication
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