M. Asmaeel, S., A. D. Hassan, M., Ali H. Al-Ali, K., A S. A Majeed, H. (2011). Synthesis and Study the Characterization of (4,5-dihydroxy-3-((4- aminodiphenylsulfone) phenyl)diazenyl)naphthalene-2,7-disulfonic acid effect pH on the a New Azo Dye Compound and study of the Structure, Electronic Properties and Intramolecular Hydrogen Bonding ( IHB). , 8(15), 73-90.
Sadiq M. Asmaeel; Maan A. D. Hassan; Kawkab Ali H. Al-Ali; Hasanain A S. A Majeed. "Synthesis and Study the Characterization of (4,5-dihydroxy-3-((4- aminodiphenylsulfone) phenyl)diazenyl)naphthalene-2,7-disulfonic acid effect pH on the a New Azo Dye Compound and study of the Structure, Electronic Properties and Intramolecular Hydrogen Bonding ( IHB)". , 8, 15, 2011, 73-90.
M. Asmaeel, S., A. D. Hassan, M., Ali H. Al-Ali, K., A S. A Majeed, H. (2011). 'Synthesis and Study the Characterization of (4,5-dihydroxy-3-((4- aminodiphenylsulfone) phenyl)diazenyl)naphthalene-2,7-disulfonic acid effect pH on the a New Azo Dye Compound and study of the Structure, Electronic Properties and Intramolecular Hydrogen Bonding ( IHB)', , 8(15), pp. 73-90.
M. Asmaeel, S., A. D. Hassan, M., Ali H. Al-Ali, K., A S. A Majeed, H. Synthesis and Study the Characterization of (4,5-dihydroxy-3-((4- aminodiphenylsulfone) phenyl)diazenyl)naphthalene-2,7-disulfonic acid effect pH on the a New Azo Dye Compound and study of the Structure, Electronic Properties and Intramolecular Hydrogen Bonding ( IHB). , 2011; 8(15): 73-90.

Synthesis and Study the Characterization of (4,5-dihydroxy-3-((4- aminodiphenylsulfone) phenyl)diazenyl)naphthalene-2,7-disulfonic acid effect pH on the a New Azo Dye Compound and study of the Structure, Electronic Properties and Intramolecular Hydrogen Bonding ( IHB)

Journal of Misan Researches
Article 1, Volume 8, Issue 15, 2012, Pages 73-90
Authors
Sadiq M. Asmaeel; Maan A. D. Hassan; Kawkab Ali H. Al-Ali; Hasanain A S. A Majeed
Abstract
Abstract: New azo dye was prepared from 4,4-diaminodiphenyl sulfone with chromotrpic acid. The prepared by fox method, dye azo were identified by IR- spectrophotometry, visible spectroscopy and (CHN) analysis. The absorption spectra of the azo dye was recorded with wavelength in the range (360-650)nm in universal buffer solution of different pH values. From these spectra, the ionaization and protonation constant were calculated by using the half height method. It found that the value of the ionaization constant(pKa) closely which interpret the ionaization of the hydroxyl group. Theoretical calculations for azo dye with and without intramolecular hydrogen bonding(IHB) were studied by quantum chemical calculations for the first time. The optimized structures of the azo dye were obtained by molecular mechanics (MM+),
and then further geometry optimization was carried out by the semi-empirical molecular orbital theory at the level of AM1 of the theory. Study Shown, the configuration II more stable with (IHB). Also the dipole moment, heats of formation, molecular orbitals energy of HOMO and LUMO and energy band gaps (ΔE) were calaulated
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