In the present work, for the first time on the basis ofpoly (vinyl alcohol) (PVA), 2- (4-dimethylaminostyryl)-l-ethylquinolinium iodide (quinaldine red (QR)) and trisodium (4E)-5-oxo- 1-(4-sulfonatophenyl...In the present work, for the first time on the basis ofpoly (vinyl alcohol) (PVA), 2- (4-dimethylaminostyryl)-l-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/dgdzvp 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.展开更多
基金supported by the National Academy of Sciences of Belarus
文摘In the present work, for the first time on the basis ofpoly (vinyl alcohol) (PVA), 2- (4-dimethylaminostyryl)-l-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/dgdzvp 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.