ABSTRACT

In this paper, a series of hexacatenars, where the central fluorenone is connected two α-cyanostilbene which is substituted with 3,4,5-trialkoxybenzyl, was synthesized by Pd-catalyzed Suzuki coupling and Knoevenagel reaction as key steps. The LC characteristics, photophysical and electrochemical behaviors were evaluated by using POM, DSC, TGA, XRD, DFT calculations, UV-vis spectroscopy, photoluminescence measurements and CV. A rare mesophase sequence from Col_hex/p6mm to Col_rec/p2mm was observed and the mesophase width increased upon terminal chain elongation. The photophysical behaviors in different solutions and aggregated states indicated that these compounds exhibited solvatochromism, fluorescence quantum yields and aggregation-induced emission (AIE) behaviors. The electrochemical behaviors in thin film indicated these compounds show low band gap. DFT calculations of the investigated hexacatenars were accomplished to determine the structural, electronic and intermolecular interaction properties.

摘要

在本文中，以钯催化的 Suzuki 偶联和 Knoevenagel 反应为关键步骤合成了一系列六连环化合物，其中中心芴酮连接两个被 3,4,5-三烷氧基苄基取代的 α-氰基芪。通过使用 POM、DSC、TGA、XRD、DFT 计算、UV-vis 光谱、光致发光测量和 CV 来评估 LC 特性、光物理和电化学行为。从 Col _hex / p 6 mm到 Col _rec / p 2 mm 的罕见中间相序列观察到中间相宽度随着末端链伸长而增加。不同溶液和聚集态下的光物理行为表明这些化合物表现出溶剂化变色、荧光量子产率和聚集诱导发射（AIE）行为。薄膜中的电化学行为表明这些化合物显示出低带隙。完成研究的六链的 DFT 计算以确定结构、电子和分子间相互作用特性。