In the present work, the quantum chemical calculations of the molecular structures of the two newly synthesized dichroic dyes:

2-methoxy-4-((1E)-((4-(phenyldiazenyl)phenyl)imino)methyl)phenyl isonicotinate (IN-1);

2-methoxy-5-((1E)-((4-(phenyldiazenyl)phenyl)imino)methyl)phenyl isonicotinate (IN-2) have been predicted using Density Functional Theory (DFT) in solvent dimethylformamide (DMF). The geometries of the dichroic dyes were optimized using the B3LYP/6-311+G* level of the theory. In addition, the electronic spectra of these compounds in solvent DMF were carried out using the same method. After quantum-chemical calculations dichroic dyes for optoelectronic applications were synthesized. Based on polyvinyl alcohol (PVA) and the new synthesized azomethine dyes polarizing films for UV/Vis regions of the spectrum were developed. The main optical parameters of polarizing PVA-films (Transmittance and Polarization Efficiency) have been measured and discussed.

在当前的工作中，两种新合成的二向色染料的分子结构的量子化学计算：

2-甲氧基-4-（（1E）-（（4​​-（苯基二氮烯基苯基）亚氨基）甲基）苯基异烟酸酯（IN-1）;

已经使用密度泛函理论（DFT）在溶剂二甲基甲酰胺（DMF）中预测了2-甲氧基-5-（（1E）-（（4​​-（苯基二氮烯基苯基）亚氨基）甲基）苯基异烟酸酯（IN-2）。使用该理论的B3LYP / 6-311 + G *水平优化了二向色性染料的几何形状。此外，使用相同的方法对这些化合物在溶剂DMF中的电子光谱进行了测定。经过量子化学计算，合成了用于光电应用的二色性染料。基于聚乙烯醇（PVA）和新合成的偶氮甲胺染料，开发了用于紫外/可见光谱区域的偏振膜。已测量并讨论了偏光PVA膜的主要光学参数（透射率和偏光效率）。