Synthesis of new azo schiff bases of pyrazole derivatives and their spectroscopic and theoretical investigations
Yazarlar (5)
Sevil Özkınalı Hitit University, Türkiye
Prof. Dr. Mahmut GÜR Kastamonu Üniversitesi, Türkiye
Prof. Dr. Nesrin ŞENER Kastamonu Üniversitesi, Türkiye
Satı Alkın
Hitit University, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Molecular Structure
Dergi ISSN 0022-2860 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI
Makale Dili İngilizce Basım Tarihi 12-2018
Kabul Tarihi Yayınlanma Tarihi 01-12-2018
Cilt / Sayı / Sayfa 1174 / 1 / 74–83 DOI 10.1016/j.molstruc.2018.06.070
Makale Linki https://hdl.handle.net/11491/574
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 …
Anahtar Kelimeler
Azo | Azo-imine | DFT | Pyrazole | Pyrazole schiff bases | Schiff bases