Thermostable Broad Band Polarizing PVA-Film:Theoretical and Experimental Investigations

摘要

In the present work,for the first time on the basis of poly (vinyl alcohol) (PVA),2-(4-dimethylaminostyryl)-1-ethylquinolinium iodide (quinaldine red (QR)) and trisodium (4E)-5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)hydrazono]-3 pyrazolecarboxylate (tartrazine (T)),thermostable polarizing film in a wide range of spectra (λmax =394～511 nm) with polarization efficiency (PE) =98％ in absorption maximum and stretching degree (Rs) =3.5 was developed.The basic spectral-polarization parameters (polarization efficiency and transmittance) of oriented colored PVA-films were measured and discussed.During the work it was found that oriented PVA-films are the phenomenon of anisotropy of thermal conductivity (λ||/λ⊥).It is a very important parameter for the development of thermostable PVA-polarizing films.For the first time quantum-chemical calculations using density functional theory (DFT) approach for structural analysis and electronic spectrum of the QR were carried out via the B3LYP/dgdzvp and TDB3LYP/dgzvp methods.Interpretation of absorption strips in visible region of spectrum was also reported.The excitation energies,electronic transitions and oscillator strengths for the studied structures have also been calculated (B3LYP/dgdzvp).The NBO analysis and Mulliken atomic charges of the QR were carried out.