Polarization, excited states, trans - cis properties and anisotropy of thermal and electrical conductivity of the 4-(phenyldiazenyl)aniline in PVA matrix

• DOI: 10.1016/j.molstruc.2017.04.014
• Publication Date: 2017-04-08T04:49:17Z
• Authors: Siyamak Shahab; Liudmila Filippovich; Masoome Sheikhi; Rakesh Kumar; Evgenij Dikusar; Hooriye Yahyaei; Alexander Muravsky
• Keywords: 01 natural sciences; 0104 chemical sciences

Abstract In the present work, Polarization, Excited States, Trans–Cis ( E → Z ) Isomerization Properties and Anisotropy of Thermal and Electrical Conductivity of the 4-(phenyldiazenyl)aniline in the presence of polyvinyl alcohol (PVA) matrix were studied. DFT, UV/Vis, IR-Spectroscopies and Indicator Method were used for Determination of Thermal Conductivity of polymer films. The absorption spectra of the 4-(phenyldiazenyl)aniline in dimethylformamide (DMF) solvent and in aqueous medium were calculated. The nature of absorption peaks of the 4-(phenyldiazenyl)aniline in the UV/Vis spectral regions were interpreted. The solvent effect on the absorption spectrum of the 4-(phenyldiazenyl)aniline has established. The molecular HOMO-LUMO, excitation energies and oscillator strengths for E and Z isomers of the 4-(phenyldiazenyl)aniline have also been calculated and presented. Optical Properties of the PVA-films containing 4-(phenyldiazenyl)aniline have been also investigated. Polarizing Efficiency (PE) of obtained PVA-film is 98–99% at Stretching Degree (R s ) 3.5. Anisotropy of thermal and electrical conductivity of PVA-films containing E and Z isomers of the 4-(phenyldiazenyl)aniline was also measured and discussed.