Synthesis, characterization, biological, X-ray diffraction analysis and computational chemistry studies of new 2-acetylpyridine derivative hydrazone and its Zn(II) complex
Yazarlar (4)
Doç. Dr. Murat ÇINARLI Kırşehir Ahi Evran Üniversitesi, Türkiye
Çiğdem Yüksektepe Ataol Çankırı Karatekin Üniversitesi, Türkiye
Öğr. Gör. Esra ÇİNARLI Kırşehir Ahi Evran Üniversitesi, Türkiye
Önder İdil Amasya Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 08-2020 |
| Cilt / Sayı / Sayfa | 1213 / 1 / 128152–0 | DOI | 10.1016/j.molstruc.2020.128152 |
| Özet |
| A new aroyl hydrazone ligand ((E)-2-phenyl-N'-(1-(pyridine-2-yl)ethylidene)acetohydrazide) HL and its metal complex [ZnL2] (1) have been synthesized and characterized by using elemental analysis, IR and UVevis spectroscopy methods. All data indicate that the ligand is coordinated through enolate oxygen, pyridine nitrogen and the imine nitrogen in enolic form towards the metal ions. The single crystal X-ray diffraction analysis and Density Functional Theory (DFT) calculations were carried out for HL and 1 structures. HL and 1 crystallize in the monoclinic and the orthorhombic with P 21/n and P b c n space group with a 1/4 5.2051(4) A, b 1/4 10.0477(9) A, c 1/4 25.204(2) A, with a 1/4 14.1300(18) A, b 1/4 9.3287(13) A, c 1/4 21.491(3) A, respectively. The geometries, molecular orbital energies, and stability of the molecular structures were investigated in different solvent environments by using DFT/B3LYP/6-311G … |
| Anahtar Kelimeler |
| 2-acetylpyridine | Computational chemistry | DNA bases | Hydrazone | Metal complex | Single crystal |
Science Direct
Synthesis, characterization, biological, X-ray diffraction analysis and computational chemistry studies of new 2-acetylpyridine derivative hydrazone and its Zn(II) complex
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 6 |
| Scopus | 17 |
| Web of Science | 19 |