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Self-assembly and molecular dynamics studies of an excimer emissive hexacatenar derivative in helical columnar crystalline and liquid crystalline phases
Dyes and Pigments ( IF 4.1 ) Pub Date : 2020-06-17 , DOI: 10.1016/j.dyepig.2020.108616
Manh Linh Nguyen , Ho-Joong Kim , Byoung-Ki Cho

Herein, the temperature-dependent fluorescence properties of a hexacatenar liquid crystalline (LC) molecule composed of naphthalenyl and 1,2,3-triazolyl linkers are reported. This molecule exhibited a bluish emission in its crystalline and LC phases under UV-irradiation. According to the obtained photoluminescence (PL) and lifetime data, the emission originated from excimer formation of the naphthalenyl units. Morphological analyses indicated the face-to-face stacking of the naphthalenyl units in the orthorhombic crystalline (Cryortho) and helical columnar LC (Colhel) structures. This packing mode was used to rationalize the excimer emission from the PL data. As temperature increased to 100 °C, the PL intensity gradually decreased. Interestingly, it dropped abruptly at 100 °C in the LC temperature range. Dielectric relaxation spectroscopic analysis indicated that molecular reorientation allowing full rotational motion was initially activated at 100 °C. The sudden variation in the rotational rigidity was associated with triazolyl hydrogen-bonding, which affected the emission intensity.



中文翻译:

准分子发光六邻苯二酚衍生物在螺旋柱状晶相和液晶相中的自组装和分子动力学研究

在本文中,报道了由萘基和1,2,3-三唑基接头组成的六邻苯二酚液晶(LC)分子的温度依赖性荧光性质。在紫外线照射下,该分子在其结晶相和LC相中均显示出蓝色发光。根据获得的光致发光(PL)和寿命数据,该发射源自萘单元的受激准分子形成。形态分析表明,正交晶体(Cry ortho)和螺旋柱状LC(Col hel)中萘单元的面对面堆积)结构。该打包模式用于根据PL数据合理化准分子发射。随着温度升高至100°C,PL强度逐渐降低。有趣的是,它在LC温度范围内于100°C突然下降。介电弛豫光谱分析表明,允许完全旋转运动的分子重新定向最初是在100°C下激活的。旋转刚度的突然变化与三唑基氢键有关,这影响了发射强度。

更新日期:2020-06-23
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