Monodisperse π–π Stacking Anthracene Dimer under Pressure: Unique Fluorescence Behaviors and Experimental Determination of Interplanar Distance at Excimer Equilibrium Geometry,Advanced Optical Materials

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Monodisperse π–π Stacking Anthracene Dimer under Pressure: Unique Fluorescence Behaviors and Experimental Determination of Interplanar Distance at Excimer Equilibrium Geometry
Advanced Optical Materials ( IF 8.0 ) Pub Date : 2018-05-28 , DOI: 10.1002/adom.201800085
Haichao Liu ₁ , Yuxiang Dai _{2,

3} , Yu Gao ₁ , Hongcheng Gao ₄ , Liang Yao ₁ , Shitong Zhang ₁ , Zengqi Xie ₄ , Kai Wang ₂ , Bo Zou ₂ , Bing Yang ₁ , Yuguang Ma ₄

Affiliation

Organic light‐emitting materials are centered on their excited states. However, excited‐state geometry is hardly solved. Herein, the planar distance of an anthracene excimer is determined by integrating a monodisperse dimeric anthracene stacking in crystal and high‐pressure technique. The crystal exhibits the pure excimer fluorescence at ambient conditions, and a unique photophysical phenomenon is observed under pressure: fluorescence peak keeps constant first and then starts a gradual redshift. The theoretical potential energy curve indicates that this starting point of redshift corresponds to the excimer equilibrium geometry, which will be innovative to determine the excited‐state π–π interplanar distance (R_e) in experiment. Moreover, high‐pressure synchrotron powder X‐ray diffraction experiment tactfully determines R_e = 3.330 Å at the pressure point of initial redshift. This work not only suggests the R_e determination by an original pathway but also reports a unique excimer photophysics, which may provide a reference benchmark for the further theoretical and experimental studies on aromatic excimer.

中文翻译：

压力下单分散π-π堆叠蒽二聚体：独特的荧光行为和准分子平衡几何上平面间距的实验确定

有机发光材料以激发态为中心。但是，激发态的几何形状很难解决。此处，蒽准分子的平面距离是通过将单分散二聚蒽堆叠在晶体中和高压技术中而确定的。晶体在环境条件下表现出纯的准分子荧光，并且在压力下观察到独特的光物理现象：荧光峰首先保持恒定，然后开始逐渐的红移。理论势能曲线表明，该红移的起点与准分子平衡几何形状相对应，这对于确定激发态π–π平面间距离（R _e）在实验中。此外，高压同步加速器粉末X射线衍射实验巧妙地确定了在初始红移的压力点R _e = 3.330Å。这项工作不仅建议通过原始途径确定R _e，而且报告了独特的准分子光物理性质，这可能为芳香族准分子的进一步理论和实验研究提供参考基准。

更新日期：2018-05-28

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