New derivatives of (E,E)-azomethines: Design, quantum chemical modeling, spectroscopic (FT-IR, UV/Vis, polarization) studies, synthesis and their applications: Experimental and theoretical investigations

摘要

AbstractIn present work, Polarization, Excited States, FT-IR,1H,13C NMR, Trans–Cis (E?→?Z) Isomerization Properties and Anisotropy of Thermal and Electrical Conductivity of the three new Azomethines dyes such as: 4-((E)-((4-((E)-phenyldiazenyl)phenyl)imino)methyl)benzoic acid (I), 5-phenyl-N-(pyrimidin-2-yl)isoxazole-3-carboxamide (II) and (Z)-1-(4-((E)-((4-phenylcyclopenta-1,4-dien-1-yl)methylene)amino)phenyl)ethanone oxime (III) in the presence of polyvinyl alcohol (PVA) matrix were studied. The absorption spectrum of theI,IIandIIIin dimethylformamide (DMF) solution was calculated. The nature of absorption peaks of the dyes in the UV/Vis spectral regions was interpreted. The molecular HOMO-LUMO, excitation energies and oscillator strengths forEandZisomers of theI,IIandIIIhave also been calculated and presented. Optical Properties of the PVA-films containing these new synthesized dyes have investigated. Polarizing Efficiency (PE) of obtained PVA-film is 97–98% at Stretching Degree (Rs) 3.5. Anisotropy of thermal and electrical conductivity of the PVA-films containing the title compounds was also measured and discussed.展开▼