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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      
Yazarlar
Gamze Bakır Güven
Türkiye
Dr. Öğr. Üyesi Murat ÇINARLI Dr. Öğr. Üyesi Murat ÇINARLI
Türkiye
 Emine BABUR ŞAŞ Emine BABUR ŞAŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye
Önder İdil
Türkiye
Nermin Kahveci Yağcı
Türkiye
Özet
It 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.
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı JOURNAL OF MOLECULAR STRUCTURE
Dergi ISSN 0022-2860
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q3
Makale Dili Türkçe
Basım Tarihi 06-2021
Cilt No 1234
Sayı 1
Doi Numarası 10.1016/j.molstruc.2021.130187
Makale Linki http://dx.doi.org/10.1016/j.molstruc.2021.130187