Spectral, structural, and theoretical investigation of a cationic Nickel(II) complex with N4S2-donor Schiff-base ligand and perchlorate counterions

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dc.contributor.authorRostami, Fatemeh
dc.contributor.authorAbedi, Marjan
dc.contributor.authorShamkhali, Amir Nasser
dc.contributor.authorAkkurt, Mehmet
dc.contributor.authorCelik, Omer
dc.contributor.authorMahmoudi, Ghodrat
dc.contributor.authorMasoudiasl, Ardavan
dc.date.accessioned2024-04-24T16:15:38Z
dc.date.available2024-04-24T16:15:38Z
dc.date.issued2021
dc.departmentDicle Üniversitesien_US
dc.description.abstractA reaction between a hexadentate pyridine-based ligand (L) [pyridine-2-ylmethylene][2-({2-[(2-{[pyridine2 ylmethylene]amino}phenyl)thio]ethyl}thio)phenyl]aminewith ) gave the complex of [NiL](ClO4)(2)center dot H2O. This synthesized complex has been characterized by a variety of physico-chemical techniques. Based on the structural data, the geometry of NiN4S2 cationic complex is slightly distorted-octahedral. The asymmetric unit consisted of one Schiff-base ligand (L), one Ni(II) ion, two disordered perchlorate counterions, and one water molecule. The crystal packing analysis also showed O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogenbonding interactions form a three-dimensional (3D) supramolecular structure. Moreover, Hirshfeld surface analysis ratified the effective role of perchlorate anions and water molecules in the formation and stabilization of the crystal packing. Also, density functional theory calculations were used to analyze the electronic structure of the complex which gave us consistent results with the obtained experimental data for the complex. (c) 2020 Elsevier B.V. All rights reserved.en_US
dc.identifier.doi10.1016/j.molstruc.2020.129281
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85091213141
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2020.129281
dc.identifier.urihttps://hdl.handle.net/11468/15876
dc.identifier.volume1224en_US
dc.identifier.wosWOS:000598943300014
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherElsevieren_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.subjectCrystal Structureen_US
dc.subjectNickel(Ii) Complexen_US
dc.subjectHirshfeld Surface Analysisen_US
dc.subjectDft Calculationsen_US
dc.subjectSchiff-Baseen_US
dc.titleSpectral, structural, and theoretical investigation of a cationic Nickel(II) complex with N4S2-donor Schiff-base ligand and perchlorate counterionsen_US
dc.titleSpectral, structural, and theoretical investigation of a cationic Nickel(II) complex with N4S2-donor Schiff-base ligand and perchlorate counterions
dc.typeArticleen_US

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