Synthesis, Characterisation and DFT Calculations of Azo-Imine Dyes
Yazarlar (3)
Prof. Dr. Sevil Özkınalı Hitit Üniversitesi, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
Büşra Sakin
Hitit University, Türkiye
Hitit University, Türkiye
| Makale Türü |
Özgün Makale
(Ulusal alan endekslerinde (TR Dizin, ULAKBİM) yayınlanan tam makale)
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| Dergi Adı | Journal of the Turkish Chemical Society Section A Chemistry | ||
| Dergi ISSN | 2149-0120 Scopus Dergi | ||
| Dergi Tarandığı Indeksler | TR DİZİN | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2018 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 24-11-2017 |
| Cilt / Sayı / Sayfa | 5 / 1 / 159–176 | DOI | 10.18596/jotcsa.346278 |
| Makale Linki | http://dergipark.gov.tr/doi/10.18596/jotcsa.346278 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
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| Özet |
| In this study, azo dyes containing an imine group were synthesised by couplingp-hydroxybenzylidene aniline with the diazonium salts of p-toluidine,4-aminophenol, aniline, p-chloroaniline,p-fluoroaniline and p-nitroaniline.The compounds were characterised by melting point, elemental, UV-Vis and IR analyses as well as1H-NMR and 13C-NMR spectroscopies. Moreover, theexperimental data were supplemented with density functional theory (DFT) calculations. The experimental data on FT-IR and UV–Vis spectra ofthe compounds were compared with theoretical results. The DFT calculations were performed to obtain the groundstate geometries of the compounds using the B3LYP hybrid functional level with 6-311++g(2d,2p)basis set. Frontier molecular orbital energies, band gap energies and some chemical reactivityparameters, such as chemical hardness and electronegativity, were calculated and compared with experimental values. A significant correlation was observed between thedipole moment and polarities of the solvents and the absorption wavelength ofthe compounds. |
| Anahtar Kelimeler |
| Azo-Azomethine | Azo-imine | DFT | Schiff bases | Spectroscopy |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 9 |
| Google Scholar | 12 |