img
Synthesis, Characterisation and DFT Calculations of Azo-Imine Dyes     
Yazarlar
Sevil Özkınalı
Hitit Üniversitesi, Türkiye
Doç. Dr. Muhammet Serdar ÇAVUŞ
Kastamonu Üniversitesi, Türkiye
Büşra Sakin
Özet
In this study, azo dyes containing an imine group were synthesised by coupling p-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 and13 C-NMR spectroscopies. Moreover, the experimental data were supplemented with density functional theory (DFT) calculations. The experimental data on FT-IR and UV–Vis spectra of the compounds were compared with theoretical results. The DFT calculations were performed to obtain the ground state 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 reactivity parameters, such as chemical hardness and electronegativity, were calculated and compared with experimental values. A significant correlation was observed between the dipole moment and polarities of the solvents and the absorption wavelength of the compounds.
Anahtar Kelimeler
Azo-Azomethine | Azo-imine | DFT | Schiff bases | Spectroscopy
Makale Türü Özgün Makale
Makale Alt Türü Ulusal alan endekslerinde (TR Dizin, ULAKBİM) yayımlanan tam makale
Dergi Adı Journal of the Turkish Chemical Society, Section A: Chemistry
Dergi ISSN 2149-0120
Dergi Tarandığı Indeksler TR DİZİN
Makale Dili İngilizce
Basım Tarihi 01-2018
Cilt No 5
Sayı 1
Sayfalar 159 / 178
Doi Numarası 10.18596/jotcsa.346278
Makale Linki http://dergipark.gov.tr/doi/10.18596/jotcsa.346278
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
SCOPUS 6
TRDizin 1
Synthesis, Characterisation and DFT Calculations of Azo-Imine Dyes

Paylaş