Synthesis , Characterization , and study of the Spectral and Electronic Properties of a New Azo Dyes Compounds

Authors

  • Hasanain Majeed Department of Chemistry – College of Education – Basrah University-Basrah – Iraq

Keywords:

Azo dyes Derivative from acetaminophenol, Electronic Properties, ionization at protonation constant Spectral studies. Electronic Properties

Abstract

In this study two new azo dyes were prepared from 4-acetaminophenol with 4-amino-N-2-pyrimidinyl_  benzenesulfonamide & 4-amino-N-(5-methyl-3-isoxazolyl)-benzenesulfonamide were prepared. The prepared
by Fox method, the azo dyes were identified by IR- spectrophotometer, UV-visible spectroscopy and
elemental analysis (CHN). The absorption spectra of the azo dye was recorded with wavelength in the range
(360-600) nm in universal buffer solution of different pH values. From these spectra, the ionization and
protonation constant were calculated by using the half height method. It found that the value of the ionization
constant (pKa) closely which interpret the ionization of the hydroxyl group. Theoretical calculations for azo
dyes were studied by quantum chemical calculations. The optimized structures of the azo dyes were obtained
by molecular mechanics (MM+), and then further geometry optimization was carried out by the semiempirical molecular orbital theory at the level of AM1 of the theory. Study Shown, the configuration II more
stable because of have high energy gap ΔE and high stability. Also the dipole moment, heats of formation,
molecular orbitals energy of HOMO and LUMO were calculated.

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Published

2013-09-02

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Articles

How to Cite

Synthesis , Characterization , and study of the Spectral and Electronic Properties of a New Azo Dyes Compounds. (2013). University of Thi-Qar Journal of Science, 4(1), 91-101. https://jsci.utq.edu.iq/index.php/main/article/view/561