| Yazarlar |
Sevil Özkınalı
Hitit Üniversitesi, Türkiye |
Doç. Dr. Mahmut GÜR
Kastamonu Üniversitesi, Türkiye |
Prof. Dr. Nesrin ŞENER
Kastamonu Üniversitesi, Türkiye |
|
Satı Alkın
|
Doç. Dr. Muhammet Serdar ÇAVUŞ
Kastamonu Üniversitesi, Türkiye |
| Özet |
| New pyrazole Schiff bases containing azo groups, 4-((E)-phenyldiazenyl)-3-(4-nitrobenzylidene)-1-phenyl-pyrazole-5-amine and its series, were synthesized using the condensation reaction between p-nitrobenzaldehyde and (E)-1-phenyl-4-(phenyldiazenyl)-1H-pyrazole-3,5-diamine in the molar ratio of 1:1. The compounds were characterized using IR, UV–Vis, 1H-NMR and 13C-NMR spectroscopies. The UV–Vis spectral data were obtained in ethanol, chloroform, N,N-dimethylformamide (DMF), DMF (pH = 2) and DMF (pH = 12), which have different polarity and pH values. Meanwhile, the experimental spectral analyses were supported by the theoretical calculations based on the density functional theory (DFT) using the B3LYP/cc-pvtz level. Structural analyses, vibrational frequencies, UV, and NMR calculations were performed at the same level of the theory. In addition, via using HOMO-LUMO energies, the electrochemical quantities such as chemical hardness and electronegativity were calculated and analyzed. |
| Anahtar Kelimeler |
| Pyrazole,Schiff bases,Azo,Pyrazole schiff bases,Azo-imine,DFT |
| 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 |
| Makale Dili | İngilizce |
| Basım Tarihi | 12-2018 |
| Cilt No | 1174 |
| Sayfalar | 74 / 83 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286018307713 |
