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首页> 外文期刊>New Journal of Chemistry >Orthogonal smectic and nematic ordering in three-ring polar bent-core molecules with anti-parallel arrangement
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Orthogonal smectic and nematic ordering in three-ring polar bent-core molecules with anti-parallel arrangement

机译：具有反并联布置的三环极性弯曲核心分子的正交近晶和向念象

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摘要

We report the basic structural understanding of a new class of achiral three-ring bent-core compounds with an imine and ester linkage at the molecular bend, which are shown to exhibit nematic and orthogonal smectic phases at lower temperatures. The occurrence of the orthogonal smectic and nematic ordering has been confirmed by optical texture, DSC study and temperature dependent X-ray diffraction measurements. X-ray structure analysis in the crystalline state of one of the compounds (2-4) ascertained the antiparallel arrangement of the polar bent-core molecules in the unit cell. A stretched bent angle (similar to 143 degrees), which is due to the presence of a methyl group at the molecular kink, has also been demonstrated. Moreover, the interdigitated arrangement of the pre-mesogenic Schiff's base compound, SB-C8, has been determined by SCXRD analysis. The presence of permanent dipole moment along the lateral direction of these series of compounds, determined by DFT calculation, induces polarity in the mesophase. We have successfully revealed that the bent-core compounds based on a three-ring system exhibit enhanced monolayer smectic A as well as low temperature nematic ordering upon supercooling.
机译：我们报告一个新的类用亚胺和酯键在分子弯曲，这被示出在较低温度下表现出向列相和正交的近晶相的非手性三环弯曲核化合物的基本结构的理解。正交近晶型和向列型排序的发生已经通过光学质地，DSC研究和温度相关的X射线衍射测定确认。在（2-4）的化合物之一的晶态的X射线结构分析确定在该单元中的极性弯曲核心分子的反平行排列。拉伸的弯曲角（类似于143度），这是由于甲基基团在分子扭结的存在，也被证实。此外，预介晶的席夫碱化合物，SB-C8的交叉指型排列已经通过SCXRD分析确定。永久偶极矩的沿着这些系列化合物，由DFT计算确定的横向方向上的存在，诱导极性的中间相。我们已经成功地发现，基于三环系统表现出增强的单层近晶A以及低温向列排序后过冷弯曲核的化合物。

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  • 来源
    《New Journal of Chemistry》 |2017年第13期|共9页
  • 作者

    Kaur Supreet; Punjani Vidhika; Mohiuddin Golam; Pal Santanu Kumar;

  • 作者单位

    IISER Mohali Dept Chem Sci Sect 81 Knowledge City 140306 Manauli India;

    IISER Mohali Dept Chem Sci Sect 81 Knowledge City 140306 Manauli India;

    IISER Mohali Dept Chem Sci Sect 81 Knowledge City 140306 Manauli India;

    IISER Mohali Dept Chem Sci Sect 81 Knowledge City 140306 Manauli India;

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  • 正文语种 eng
  • 中图分类 化学;
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