基于平面手性[2.2]对环芳烷的光学活性X形分子的聚集诱导发光。
Aggregation-induced emission from optically active X-shaped molecules based on planar chiral [2.2]paracyclophane.
作者信息
Jikuhara Keishi, Inoue Ryo, Morisaki Yasuhiro
机构信息
Department of Applied Chemistry for Environment, School of Biological and Environmental Sciences, Kwansei Gakuin University, 1 Gakuen Uegahara, Sanda, Hyogo, 669-1330, Japan.
出版信息
Sci Rep. 2023 Dec 19;13(1):22647. doi: 10.1038/s41598-023-49120-2.
An optically active π-stacked molecule was synthesized incorporating planar chiral [2.2]paracyclophane and o-carborane units to impart circularly polarized luminescence and aggregation-induced emission properties to the molecule. The molecule exhibited a strong emission from the aggregated state in a mixed solvent system (HO/THF) and the solid state in the PMMA matrix. In the aggregated state, weak circularly polarized luminescence was observed owing to the random intermolecular orientation. On the other hand, the circularly polarized luminescence was clearly observed in the PMMA film containing 1 wt% molecule. Theoretical studies using time-dependent density functional theory reproduced the molecule's circular dichroism and circularly polarized luminescence properties.
合成了一种具有光学活性的π堆积分子，该分子包含平面手性[2.2]对环芳烷和邻碳硼烷单元，赋予该分子圆偏振发光和聚集诱导发光特性。该分子在混合溶剂体系（水/四氢呋喃）中的聚集态以及聚甲基丙烯酸甲酯（PMMA）基质中的固态均表现出强烈的发射。在聚集态下，由于分子间取向随机，观察到较弱的圆偏振发光。另一方面，在含有1 wt%该分子的PMMA薄膜中清晰地观察到了圆偏振发光。使用含时密度泛函理论进行的理论研究再现了该分子的圆二色性和圆偏振发光特性。
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