ve etilsiyanoasetat ile kenetlenerek etil 2-siyano-2-(2-(nitrofenil) hidrazon)asetat bileşikleri elde edilmiştir. Elde edilen etil 2-siyano-2-(2-(nitrofenil) hidrazon)asetat bileşikleri, hidrazinhidrat ile reaksiyona sokularak bir seri 5-amino-4-((nitrofenil) diazenil)-1H-pirazol-3-ol türevleri sentezlenmiştir. Sentezlenen 5-amino-4-((nitrofenil) diazenil)-1H-pirazol-3-ol bileşiklerinin 3,5-dimetil-1H-pirazol ve 3,5-dimetil-1-fenil-1H-pirazol bileşikleri ile kenetlenme reaksiyonu sonucunda ise sırasıyla 5-((3,5-dimetil-1H-pirazol-4-il)diazenil)-4-((nitrofenil) diazenil)-1H-pirazol-3-ol ve 5-((3,5-dimetil-1-fenil-1H-pirazol-4-il)diazenil)-4-((nitrofenil) diazenil)-1H-pirazol-3-ol disazo boyarmaddeleri elde edilmiştir. Elde edilen bu disazo boyarmaddeleri FT-IR (Fourier-Transform Infrared Spektroskopisi), 1 H-NMR (Proton Nükleer Manyetik Rezonans Spektroskopisi) gibi spektral yöntemlerle karakterize edilmiş ve görünür bölge absorpsiyon spektrumları üzerine değişik çözücü etkisi incelenmiştir. Böylece hem diazo hem de kenetlenme bileşeni heterosiklik olan yeni disazo boyarmaddeler sentezlenerek daha batokromik renklerin elde edilmesi amaçlanmıştır.
This study consists of two parts, experimental and theoretical. In the first part, ten new aminothiazole based disazo dyes (4a-e, 5a-e) were synthesized. Structures of these synthesized dyes were confirmed by 1H-NMR, FT-IR and UV–Vis spectra. In the second part, employing the B3LYP level with the 6-311G(d,p) basis set, in the ground state, the molecular geometry and vibrational frequency calculations were performed by the density functional theory (DFT). The gauge independent atomic orbital (GIAO) method was carried out to investigate the chemical shifts values. Time-dependent DFT (TD-DFT) approach was used to determine the HOMO–LUMO calculations. As a result of our study, it was observed that the computational spectroscopic values of the synthesized disazo compounds were compatible with the experimental values.
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