102840-96-0Relevant academic research and scientific papers
Quantum chemical modeling of new derivatives of (E,E)-azomethines: Synthesis, spectroscopic (FT-IR, UV/Vis, polarization) and thermophysical investigations
Shahab, Siyamak,Sheikhi, Masoome,Filippovich, Liudmila,Anatol'evich, Dikusar Evgenij,Yahyaei, Hooriye
, p. 335 - 348 (2017)
In the present work, the molecular structures of three new azomethine dyes: N-benzylidene-4-((E)-phenyldiazenyl)aniline (PAZB-1), 2-methoxy-4-(((4-((E)- phenyldiazenyl)phenyl)imino)methyl)phenol (PAZB-2) and 2-methoxy-5-((E)-((4-((E)- phenyldiazenyl)phenyl)imino)methyl)phenol (PAZB-8) have been predicted and investigated using Density Functional Theory (DFT) in dimethylformamide (DMF). The geometries of the azomethine dyes were optimized by PBE0/6-31?+?G* level of theory. The electronic spectra of these azomethine dyes in a DMF solution was carried out by TDPBE0/6-31?+?G* method. After quantum-chemical calculations three new azomethine dyes for optoelectronic applications were synthesized. FT-IR spectra of the title compounds are recorded and discussed. The computed absorption spectral data of the azomethine dyes are in good agreement with the experimental data, thus allowing an assignment of the UV/Vis spectra. On the basis of polyvinyl alcohol (PVA) and the new synthesized azomethine dyes polarizing films for Visible region of spectrum were developed. The main optical parameters of polarizing PVA-films (Transmittance, Polarization Efficiency and Dichroic Ratio) have been measured and discussed. Anisotropy of thermal conductivity of the PVA-films has been studied.
SYNTHESES, 1H NMR AND IR SPECTRA OF SOME PARA-SUBSTITUTED AZOBENZENES
Skulski, Lech,Smialek-Kazmierowska, Sonia
, p. 17 - 35 (2007/10/02)
Ir absorption spectra (in KBr pellets and, in part, in CCl4 solutions) as well as 1H NMR spectra (in perdeuterioacetone or in CF3COOD) of trans-azobenzene and forty-nine of its para-monosubstituted derivatives have been investigated.Twenty -one azo compounds studied may, theoretically, exhibit azo-hydrazone and/or amide-iminol tautomerism, the rest of them represent corresponding non-tautomeric model compounds with established chemical structures.The spectral studies have evidenced that all the compounds are azoic in their crystals and solutions investigated.The monoamides and the corresponding sulfonamides seem to exist solely or nearly so in their tautomeric amide form and do not display any dual reactivity when methylated by the Pachter-Kloetzel method, which furnished exclusively the respective N-methyl derivatives.
