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

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.

高碲酸合铜（Ⅱ，Ⅲ）配合物的合成和性质

在Ｈ＿６ＴｅＯ＿６／ＫＯＨ水溶液中以臭氧为氧化剂，将二价铜化合物氧化成三价铜化合物，并获得一个新的三价铜化合物Ｂａ＿４Ｋ［Ｃｕ（Ｈ＿２ＴｅＯ＿６）＿２］（ＯＨ）＿４·６Ｈ＿２Ｏ；描述了碱性溶液中“Ｃｕ（Ⅲ）／Ｃｕ（Ⅱ）”循环伏安图。对铜（Ⅲ）化合物，Ｎａ＿４Ｈ［Ｃｕ（Ｈ＿２ＴｅＯ＿６）＿２］·１７Ｈ＿２Ｏ以及相应的铜（Ⅱ）配合物的电子光谱和Ｃｕ２ｐＸＰＳ进行了研究，给出了其配位场场强参数和Ｃｕ２ｐＸＰＳ的电子结合能。由于价态升高，光电子空穴寿命缩短，Ｃｕ２ｐＸＰＳ的谱峰增宽。