设计合成了一个新型双硼桥联梯形分子.该有机分子拥有一个拓展的π共轭骨架结构.通过真空升华方法,得到了这个化合物的单晶.单晶X射线衍射分析表明该化合物拥有一个完全共平面的并七环梯形骨架.与每一个硼配位的米基基团可以有效地隔离发光单元,避免聚集诱导淬灭.化合物具有非常高的熔点和热分解温度,表明其拥有良好的热稳定性.电化学、光物理性质和理论计算研究表明,我们设计的双硼梯形共轭化合物在有机电子发光二级管器件中具有潜在的应用价值.因此,构筑了以该分子为发光层和电子传输层的器件,得到了不错的电致发光效果。
A novel diboron-bridged ladder-type molecule with extended π-conjugated skeleton has been designed and synthesized. Single crystal of the compound has been grown by the method of vacuum sublimation and the molecular structure determined by X-ray diffraction analysis demonstrate that this ladder-type molecule has a seven-ring fused skeleton, which is almost coplanar. And the two mesityl groups coordinated to each boron atom can effectively keep the luminescent units apart. No π-π interaction can be observed between the two extended π-conjugated planes. In the packing structures, we cannot find the intramolecular hydrogen bond, C—H…π interaction and other weak interaction. Based on UV-vis absorption and fluorescence emission spectra, the longest absorption band is peaked at 372 nm in dichloromethane solution and the emission band is at 544 nm which has a large stokes shift of 8499 cm?1. In the solid state, the compound shows yellow fluorescence with emission peak at 582 nm. The compound in condensed phase displays only slightly red shifted emission spectra and almost the same fluorescence quantum yield compared to that in dispersed phase, which is attributed to the bulky side groups on the boron atoms. The compound possesses a very high melting point(Tm=352 ℃) and decomposition temperature(Td5=360 ℃) due to the rigid π-conjugated plane that indicates its good thermal stability. The compound has two pairs of reversible reduction peaks and an irreversible oxidation peak which are similar to the reported four-coordinate compounds. The cyclic voltammogram curves indicate boron chelation can greatly lower the lowest unoccupied molecular orbital(LUMO). Thus, it makes cathodic reductions easier and thereby endows the π-conjugated ladder with enhanced electron-accepting nature. The electrochemical property suggests that the compound is suitable as an electron-transporting layer in organic light-emitting diode(OLED) devices. To obtain a deeper insight into the electronic structure and energy