Four D−A−D triads with an o-Carborane moiety as the electron acceptor and 1,3,5-triaryl-2-pyrazoline as the electron donor were designed and synthesized via a novel nickel-catalyzed cross-coupling reaction. The four triads exhibited aggregation-induced emission (AIE) attributes. The photophysical properties and crystal packing structures of these compounds were systematically investigated by UV-Vis absorption and fluorescence spectroscopy, time-resolved fluorescence, X-ray crystallography, CV and DFT theoretical calculations. The photoluminescence spectra showed bathochromic shift (λ_max = 596–638 nm) with the increase of electron-donating ability of the substituents and accompanied systematic color-tuning from yellow to bright red with high fluorescence quantum yield (35.7%) in the solid state. The AIE mechanism could be attributed to the restriction of molecular motions and Cc–Cc bond vibration in o-Carborane which enhanced the intramolecular charge transfer (ICT) of the o-Carborane-bis(1,3,5-triaryl-2-pyrazoline) derivatives. DFT calculation further demonstrated that substituent variation is a possible way for precise color-control of AIE.

通过新颖的镍催化交叉偶联反应，设计并合成了以邻-甲硼烷部分为电子受体和1,3,5-三芳基-2-吡唑啉为电子供体的四个DA-D三单元组。四个三合会表现出聚集诱导发射（AIE）属性。通过紫外可见吸收和荧光光谱，时间分辨荧光，X射线晶体学，CV和DFT理论计算，系统地研究了这些化合物的光物理性质和晶体堆积结构。光致发光光谱表明红移（λ_最大 = 596–638 nm），随着取代基的供电子能力的提高，并伴随着从黄色到亮红色的系统颜色调谐，固态时具有很高的荧光量子产率（35.7％）。AIE机制可能归因于邻-甲硼烷的分子运动和Cc - Cc键振动的限制，这增强了邻-甲硼烷-双（1,3,5-三芳基-2-吡唑啉）的分子内电荷转移（ICT））衍生产品。DFT计算进一步证明，取代基的变化是精确控制AIE色彩的一种可能方法。