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Photo tuning of thiophene-2,5-dicarbohydrazide derivatives for their photoalignment ability-molecular modelling studies

机译:噻吩-2,5-二氨基酰肼衍生物的光学调整,适用于其光学性能力 - 分子建模研究

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摘要

In this work, we reported a photoalignment of a nematic liquid crystal, promoted by thin alignment layers made from novel thiophene-2,5-dicarbohydrazide derivatives after being illuminated with linear polarized UV light. A clear indication of the relationship between the molecular structure and alignment properties of the materials was obtained by introducing a methyl substituent group (-CH3) in the molecular structure of some of the materials studied in this work. Interestingly, the illumination with linear polarized UV caused the preferred direction of liquid crystal alignment, promoted by these layers, to be oriented either parallel (in the case of the thiophene derivative without methyl substitution) or perpendicular (in the case of the thiophene derivative with methyl substitution). The mechanism behind the observed alignment effect is elucidated by molecular modelling studies. These studies suggested the change of the orientation of the molecular net dipole moment, when a methyl group is incorporated in the molecular structure of the materials, as a possible origin. Such information is indispensable for the design and synthesis of novel photo-alignment materials for liquid crystal displays of high quality.
机译:在这项工作中,我们报道了向列液晶的光共晶体,通过用线性偏振UV光照射后由新的噻吩-2,5-二氨基酰肼衍生物制成的薄取向层促进。通过在本工作中研究的一些材料的分子结构中引入甲基取代基(-CH3),获得了材料的分子结构与对准性质之间的关系的清晰指示。有趣的是,线性偏振UV的照明导致由这些层促进的液晶取向的优选方向,以平行(在没有甲基取代的情况下的噻吩衍生物的情况下)或垂直(在噻吩衍生物的情况下)甲基替代)。通过分子建模研究阐明了观察到的对准效果背后的机制。这些研究表明,当甲基掺入材料的分子结构中,如可能的起源,所以当甲基掺入时,所以提出了分子净偶极力矩的取向。这种信息对于用于高质量的液晶显示器的新颖光对准材料的设计和合成是必不可少的。

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  • 来源
    《RSC Advances》 |2015年第97期|共7页
  • 作者单位

    BMS Coll Engn BMS R&

    D Ctr Bangalore 560078 Karnataka India;

    NAS Belarus Inst Chem New Mat Minsk Byelarus;

    NAS Belarus Inst Chem New Mat Minsk Byelarus;

    NAS Belarus Inst Chem New Mat Minsk Byelarus;

    Natl Inst Technol Dept Chem Surathkal Karnataka India;

    Univ Gothenburg Liquid Crystal Phys Grp Gothenburg Sweden;

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  • 正文语种 eng
  • 中图分类 化学;
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