Synthesis, crystal structure, antibacterial activity and theoretical studies on a novel Zn(II) complex based on 2,4,6-tris(2-pyridyl)-1,3,5-triazine ligand

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dc.contributor.authorGuven, Gamze Bakir
dc.contributor.authorCinarli, Murat
dc.contributor.authorSas, Emine Babur
dc.contributor.authorIdil, Onder
dc.contributor.authorYagci, Nermin Kahveci
dc.date.accessioned2025-01-21T16:44:49Z
dc.date.available2025-01-21T16:44:49Z
dc.date.issued2021
dc.departmentKırıkkale Üniversitesi
dc.description.abstractIt is known that 2,4,6-tri(2-pyridyl)-1,3,5-triazine (tptz) also belongs to noticeable building blocks in both organic and inorganic supramolecular chemistry. We have prepared new Zn(II) complex of 2,4,6-tri(2-pyridyl)-1,3,5-triazine. The new metal complex was characterized by elemental analysis, IR spectra, UV spectra measurements. The molecular structure of [Zn(tptz)(Cl)(2)] was investigated by X-Ray single crystal technique. From all data, the stoichiometry of the complex was found to be 1:1 (metal/ligand). The all data indicated that the tptz exhibits major coordination site behavior. Potential energy surface (PES) was calculated using the DFT / B3LYP / 6-311 G (d, p) method to determine the lowest energy state of the molecular structure. Geometric structure parameters and vibration wavenumbers calculated according to the lowest energy state were compared with experimental data. The electronic properties such as frontier molecular orbital analysis and Uv-Vis spectrum obtained at acetonitrile solvent and gas phase were also studied.). The [Zn(tptz)(Cl)(2)] complex was screened for antibacterial activity against Gram-positive, Gram-negative and yeast by using minimal inhibitory concentration method (MIC). [Zn(tptz)(Cl)(2)] has been found to show significant antimicrobial effects on gram (-), gram (+) and eukaryotic yeast. The DNA binding interactions was also determined experimentally by spectrophotometric and electrochemical methods. (C) 2021 Published by Elsevier B.V.
dc.description.sponsorshipScientific Research Projects Coordination Unit of Kirikkale University [2018/038]
dc.description.sponsorshipThe authors acknowledge to Central Research and Application Laboratory, Kirsehir Ahi Evran University. The authors acknowledge to Scientific and Technological Research Application and Research Center, Sinop University, Turkey, for the use of the Bruker D8 QUEST diffractometer. This work was supported by Scientific Research Projects Coordination Unit of Kirikkale University with the Project number 2018/038.
dc.identifier.doi10.1016/j.molstruc.2021.130187
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85102046118
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2021.130187
dc.identifier.urihttps://hdl.handle.net/20.500.12587/25519
dc.identifier.volume1234
dc.identifier.wosWOS:000637751900009
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241229
dc.titleSynthesis, crystal structure, antibacterial activity and theoretical studies on a novel Zn(II) complex based on 2,4,6-tris(2-pyridyl)-1,3,5-triazine ligand
dc.typeArticle

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