Experimental and theoretical spectroscopic characterization, Hirshfield surface analysis, TD-DFT calculation, and nonlinear optical properties of (E)-1-[(2, 4 …

A Mansour, C Souheyla, M Youcef, B Nourdine… - Journal of Molecular …, 2022 - Elsevier
Abstract (E)-1-[(2, 4, 6-Tribromophenyl) diazenyl]-naphthalen-2-ol azo dye, an organic
crystal, was fully characterized by three reliable spectroscopic techniques (Fourier-transform …

Experimental and quantum chemical computational study of (E)-1-[5-(3, 4-dimethylphenyldiazenyl)-2-hydroxyphenyl] ethanone

S Yazıcı, Ç Albayrak, İE Gümrükçüoğlu, İ Şenel… - … Acta Part A: Molecular …, 2012 - Elsevier
In this work, the azo dye,(E)-1-[5-(3, 4-dimethylphenyldiazenyl)-2-hydroxyphenyl] ethanone,
has been synthesized and characterized by IR, and X-ray single-crystal determination. In the …

Characterization and absorption properties of newly synthesized mono azo dyes: Experimental and theoretical approach

ÇK Atay, SÖ Kart, M Gökalp, Ö Tuğrul, T Tilki - Journal of Molecular …, 2019 - Elsevier
New mono azo dyes 5-amino-4-[4-(dimethylamino) phenyl] diazenyl]-pyrazol-3-ol (A) and 5-
amino-4-[4-(dimethylamino) phenyl] diazenyl]-2-phenyl-pyrazol-3-one (B) are synthesized …

Molecular structure and UV–Vis spectral analysis of new synthesized azo dyes for application in polarizing films

S Shahab, FH Hajikolaee, L Filippovich, M Darroudi… - Dyes and …, 2016 - Elsevier
In the present work, the molecular structures of three new azo dyes: sodium-2-hydroxy-5-((4-
sulfonatophenyl) diazenyl) benzoate (A), sodium 5-((4-acetamidophenyl) diazenyl)-2 …

Quantum chemical studies on the structures of some heterocyclic azo disperse dyes

N Tokay, Z Seferoğlu, C Oegretir, N Ertan - Arkivoc, 2008 - avesis.ogu.edu.tr
The ground-state geometries, absorption wavelengths, oscillation strengths for a series of
some novel hetarylazoindole derivatives were studied with density functional theory (DFT) …

Synthesis, geometry optimization, spectroscopic investigations (UV/Vis, excited states, FT-IR) and application of new azomethine dyes

S Shahab, M Sheikhi, L Filippovich, R Kumar… - Journal of Molecular …, 2017 - Elsevier
In the present work, the quantum theoretical calculations of the molecular structures of the
four new synthesized azomethine dyes such as: 1.(E)-N-(4-butoxybenzylidene)-4-((E) …

DFT Study for the Spectroscopic and Structural Analysis of p‐Dimethylaminoazobenzene

M Ali, A Mansha, S Asim, M Zahid… - Journal of …, 2018 - Wiley Online Library
The study under consideration represents the computational calculations of Azo‐based
direct dye named p‐(dimethylamino) azobenzene (DMAB) under the effect of solvents with …

Mono azo dyes derived from 5-nitroanthranilic acid: Synthesis, absorption properties and DFT calculations

ÇK Atay, M Gökalp, SÖ Kart, T Tilki - Journal of Molecular Structure, 2017 - Elsevier
Abstract Four new azo dyes: 2-[(3, 5-diamino-1 H-pyrazol-4-yl) diazenyl]-5-nitrobenzoic acid
(A), 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl) diazenyl]-5-nitrobenzoic acid (B), 2-[(3, 5 …

Synthesis, structural characterization and optical nonlinear properties of two azo-β-diketones

AM Dhumad, QMA Hassan, T Fahad… - Journal of Molecular …, 2021 - Elsevier
Synthesis, structural characterization and Density Functional Theory (DFT) studies of two
azo-β-diketones,(3-((4-bromophenyl) diazenyl) pentane-2, 4‑dione and 2-((4-bromophenyl) …

Experimental and computational studies of newly synthesized azo dyes based materials

PT Tasli, ÇK Atay, T Demirturk, T Tilki - Journal of Molecular Structure, 2020 - Elsevier
Azo dyes are organic compounds, which contain the coloring azo function (Ndouble bondN-
) and are used in the production of colored materials and materials. It is supported by the …