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首页> 外文期刊>Crystal growth & design >Structures and Fluorescence Properties for the Crystals, Powders, and Thin Films of Dithienylhexatrienes: Effects of Positional Isomerism
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Structures and Fluorescence Properties for the Crystals, Powders, and Thin Films of Dithienylhexatrienes: Effects of Positional Isomerism

机译：晶体，粉末和二苯基己二烯的晶体的结构和荧光性能：位置异构的作用

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摘要

We investigated the structures and fluorescence properties for the crystals, powders, and thin films of the two positional isomers of dithienylpolyene, (E,E,E)-1,6-di(3-thienyl)hexa-1,3,5-triene (3T) and 1,6-di(2-thienyl)hexa-1,3,5-triene (2T). A combination of experimental single crystal X-ray and theoretical reduced density gradient (RDG) atoms-in-molecules (AIM) analysis indicates the importance of CH-pi and S-S interactions in 3T and CH-pi and S-pi interactions in 2T on their structure constructions. Although the molecules are arranged similarly in a herringbone fashion in the crystals, the total intermolecular interactions are considered to be significantly stronger in 3T than in 2T. The X-ray diffraction measurements suggest that the degree of structural order in powders and films is higher in 3T than in 2T. The spectroscopic differences for the crystal, powder, and film samples are larger in 3T. The absorption and fluorescence spectra for the film of 3T are blue and red-shifted, respectively, from those of the crystal and powder, and the maximum fluorescence yields (0.23-0.27) are observed in powders. In 2T, both the absorption and fluorescence spectra of the film are slightly blue-shifted from those of the crystal and powder, and the fluorescence yields are similarly low (= 0.01) for all solids examined. We also find that the film orientation is substrate-dependent in 3T.
机译：我们研究了二噻吩基聚酯的两个位置异构体的晶体，粉末和薄膜的结构和荧光性质，（E，E，E，E）-1,6-二（3-噻吩基）六曲-1,3,5-三烯（3T）和1,6-二（2-噻吩基）六甲-1,3,5-三烯（2T）。实验单晶X射线和理论减小密度梯度（RDG）原子分子（AIM）分析的组合表明了CH-PI和SS相互作用在2T上的3T和CH-PI和S-PI相互作用的重要性他们的结构结构。尽管分子在晶体中以菱形时的形状类似地布置，但总分子间相互作用被认为比在2T中明显更强。 X射线衍射测量表明，粉末和薄膜中的结构顺序在3T中比2T中的结构顺序更高。晶体，粉末和薄膜样品的光谱差异在3T中较大。 3T膜的吸收和荧光光谱分别是晶体和粉末的蓝色和红色移位，并且在粉末中观察到最大荧光收率（0.23-0.27）。在2T中，膜的吸收和荧光光谱均从晶体和粉末的那些略微偏移，并且荧光产率类似地为所检查的所有固体的低（＆ = 0.01）。我们发现胶片取向是依赖于3T的基板。

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  • 来源
    《Crystal growth & design》 |2018年第11期|共11页
  • 作者

    Sonoda Yoriko; Tohnai Norimitsu; Zhou Ying; Shimoi Yukihiro; Azumi Reiko;

  • 作者单位

    Natl Inst Adv Ind Sci &

    Technol Elect &

    Photon Res Inst Higashi 1-1-1 Tsukuba Ibaraki 3058565 Japan;

    Osaka Univ Grad Sch Engn Dept Mat &

    Life Sci 2-1 Yamadaoka Suita Osaka 5650871 Japan;

    Natl Inst Adv Ind Sci &

    Technol Elect &

    Photon Res Inst Higashi 1-1-1 Tsukuba Ibaraki 3058565 Japan;

    Natl Inst Adv Ind Sci &

    Technol Res Ctr Computat Design Adv Funct Mat Umezono 1-1-1 Tsukuba Ibaraki 3058568 Japan;

    Natl Inst Adv Ind Sci &

    Technol Elect &

    Photon Res Inst Higashi 1-1-1 Tsukuba Ibaraki 3058565 Japan;

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  • 正文语种 eng
  • 中图分类 晶体学;
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