Synthesis, Structural Analysis and Comparison with Theoretical Calculations of Heterocyclic Disperse Diazo Dyes

Authors : Aykut Demirçalı

Pages : 407-414

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Publication Date : 2025-08-25

Article Type : Research Paper

Abstract :The interest in azo dyes is increasing in the textile and dye industry. Along with this interest, in addition to experimental studies, quantum mechanical calculations have recently been frequently encountered in the literature. In the content of the study, first of all, three azo dyes were synthesized. Then, the characteristic properties of the compounds were determined experimentally using FT-IR and 1H-NMR spectroscopies. Then, the compounds were optimized in the B3LYP/6-311+(d,p) basis set using density functional theory with the Gaussian16 program. Theoretically, FT-IR and 1H-NMR values were calculated. It was observed that the experimental and theoretical results were compatible. In addition, the electronic properties of the azo dyes were investigated.
Keywords : Azo boyarmadde, Yapı analizi, Yoğunluk Fonksiyonel Teorisi

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