Synthesis, characterization, single crystal structure and theoretical studies of trans-Ni(II)-complex with dithiophosphonate ligand

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dc.contributor.authorKarakus, Mehmet
dc.contributor.authorKara, Izzet
dc.contributor.authorCelik, Omer
dc.contributor.authorOrujalipoor, Ilghar
dc.contributor.authorIde, Semra
dc.contributor.authorYilmaz, Hamza
dc.date.accessioned2024-04-24T16:15:36Z
dc.date.available2024-04-24T16:15:36Z
dc.date.issued2018
dc.departmentDicle Üniversitesien_US
dc.description.abstractA novel metal-organic planar NiS4 - type complex, trans-Ni(II)-bis[O-(2-butoxyethyl)-(4-methoxyphenyl)dithiophosphonate], was synthesized by the reaction of ammonium salt of O-dithiophosphonic acid with Ni(CH3COO)(2). The crystal structure of Ni(II)-complex was determined by X-ray Diffraction (XRD) analysis. As a result of the X-ray crystal and molecule structure analyses of the studied trans-Ni(II)-complex, it was obtained that the central nickel atom is coordinated by four sulphur atoms in slightly distorted a square-planar geometry. The X-ray structure confirms a trans isomer of the Ni(II)complex. The Ni(II)-complex crystallizes in the monoclinic space group C12/c1 with unit cell parameters a 22.376(3) (angstrom), b 18.466(3) (angstrom) and c 8.6875(13) (angstrom). In addition, theoretical calculations with the basis set of B3LYP/6-311 + G(2d,p) are performed to determine the structural properties, FT-IR, NMR spectrum, electronic properties and NBO analysis of the compound. The experimental and computed results of the Ni(II)-complex were found to be in good agreement. (C) 2018 Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipState Planning Organization, DPT [97-K-120550]en_US
dc.description.sponsorshipThis study was supported by the State Planning Organization, DPT (grant no. 97-K-120550).en_US
dc.identifier.doi10.1016/j.molstruc.2018.02.110
dc.identifier.endpage136en_US
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85043309511
dc.identifier.scopusqualityQ1
dc.identifier.startpage128en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2018.02.110
dc.identifier.urihttps://hdl.handle.net/11468/15866
dc.identifier.volume1163en_US
dc.identifier.wosWOS:000430763000016
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherElsevier Science Bven_US
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDithiophosphonatesen_US
dc.subjectNi(Ii) Complexesen_US
dc.subjectX-Rayen_US
dc.subjectDften_US
dc.titleSynthesis, characterization, single crystal structure and theoretical studies of trans-Ni(II)-complex with dithiophosphonate liganden_US
dc.titleSynthesis, characterization, single crystal structure and theoretical studies of trans-Ni(II)-complex with dithiophosphonate ligand
dc.typeArticleen_US

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