New azo-azomethine based copper(II) and zinc(II) complexes: Synthesis, electrochemistry, photoluminescence properties, density functional theory calculations and molecular docking
| dc.date.accessioned | 2024-03-07T05:39:01Z | |
| dc.date.available | 2024-03-07T05:39:01Z | |
| dc.date.issued | 2023 | tr |
| dc.department | Eğitim Bilimleri Enstitüsü | tr |
| dc.description.abstract | A new bidentate azo-azomethine ligand 2-{(E)-[(3,4-dimethylphenyl) imino]methyl}-4-[(E)-(4-ethylphenyl)diazenyl] phenol (2) and its copper(II) and zinc(II) complexes (3) and (4) were synthesized and characterized by elemental analysis, 1H/13C NMR (for the ligand 2 and its Zn(II) complex) and IR spectral measurements. The structure of the ligand 2 was also determined by single crystal X-ray diffraction. The structure was solved in monoclinic unit cell and P21/n space group with final R value of 0.0586. In the structure of the ligand, the imine (CH–– N) bond distance is of 1.276(2) Å which confirms the phenol-imine tautmeric form in the crystalline state. In the structure, molecules are stacked by π-π (edge to edge) interactions. The electrochemical and photoluminescence properties of the synthesized azo-azomethine ligand and its metal complexes were investigated. Also, computational studies of related compounds were performed by using M062X/6-31+G level in vacuum. The potential VEGFR2 inhibitory properties of the synthesized ligand and its possible tautomers was investigated by the docking study. As for the ligand structures, azo-imine form is so reactive against the VEGFR2 protein and its docking score and total interaction energy are better than those of other tautomers. | tr |
| dc.identifier.scopus | 2-s2.0-85162111005 | en_US |
| dc.identifier.scopusquality | N/A | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12418/14824 | |
| dc.identifier.wos | WOS:001033670500001 | en_US |
| dc.identifier.wosquality | Q2 | |
| dc.indekslendigikaynak | Web of Science | en_US |
| dc.indekslendigikaynak | Scopus | en_US |
| dc.language.iso | en | en_US |
| dc.relation.publicationcategory | Rapor | tr |
| dc.rights | info:eu-repo/semantics/openAccess | tr |
| dc.title | New azo-azomethine based copper(II) and zinc(II) complexes: Synthesis, electrochemistry, photoluminescence properties, density functional theory calculations and molecular docking | en_US |
| dc.type | Article | en_US |
