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

Güven, Gamze Bakır; ÇINARLI, MURAT; BABUR ŞAŞ, EMİNE; İdil, Önder; Yağcı, Nermin Kahveci

doi:10.1016/j.molstruc.2021.130187

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 Kurum Bilgileri Sağlık Hizmetleri Meslek Yüksekokulu Tıbbi Hizmetler ve Teknikler İlk ve Acil Yardım Pr Özgeçmiş Sayfası İletişim Bilgileri: Türkiye
Doç. Dr. Emine BABUR ŞAŞ Kurum Bilgileri Teknik Bilimler Meslek Yüksekokulu Elektronik ve Otomasyon Mekatronik Pr Özgeçmiş Sayfası İletişim Bilgileri: (386)280-4748 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
Doi Numarası	10.1016/j.molstruc.2021.130187
Makale Linki	http://dx.doi.org/10.1016/j.molstruc.2021.130187

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
WoS	6
Google Scholar	9

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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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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