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New disazo dyes derived from aminopyrazoles: synthesis, spectroscopic properties, computational study and structural properties
Coloration Technology ( IF 2.0 ) Pub Date : 2021-01-25 , DOI: 10.1111/cote.12524
Fati Yıldırım 1 , Aykut Demirçalı 2 , Pınar Tunay Taşlı 3 , Fikret Karcı 2
Affiliation  

In this study, five new pyrazolyazo pyrazole dyestuff syntheses are reported. For this purpose, 5-amino-4-arylazo-3-methyl-1H-pyrazoles were diazotised and coupled with 3-amino-5-hydroxy-1H-pyrazole. Fourier Transform–infrared, ultraviolet-visible and proton nuclear magnetic resonance spectroscopy were used to investigate the properties of aminopyrazole-based dyes obtained in this study. The maximum absorption wavelengths of these dyes in various solvents were determined. The theoretical calculations of the molecules in the ground state were performed with the density functional theory/Becke 3-parameter and Lee–Yang–Parr/6-311G(d,p) method by using the Gaussian 0.9 W program. The results were compared with the corresponding experimental data. Acid-base and substituent effects on the absorption spectra of dyes were also examined and reported.

中文翻译:

源自氨基吡唑的新型双偶氮染料:合成、光谱特性、计算研究和结构特性

本研究报道了五种新型吡唑并偶氮吡唑染料的合成。为此,将 5-amino-4-arylazo-3-methyl-1 H -pyrazoles重氮化并与 3-amino-5-hydroxy-1 H偶联-吡唑。傅里叶变换-红外光谱、紫外-可见光谱和质子核磁共振光谱用于研究本研究中获得的氨基吡唑基染料的性质。测定了这些染料在各种溶剂中的最大吸收波长。基态分子的理论计算是通过密度泛函理论/贝克 3 参数和 Lee-Yang-Parr/6-311G(d,p) 方法通过使用高斯 0.9 W 程序进行的。结果与相应的实验数据进行了比较。还检查并报告了酸碱和取代基对染料吸收光谱的影响。
更新日期:2021-01-25
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