Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China, Qingdao 266100, People's Republic of China.
Acta Crystallogr C Struct Chem. 2021 Sep 1;77(Pt 9):551-560. doi: 10.1107/S2053229621008652. Epub 2021 Aug 24.
A series of luminescent cocrystals with fluoranthene (CH) as the fluorophore and benzene-1,2,4,5-tetracarbonitrile (TCNB, CHN), 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile (TFP, CFN) and 1,2,3,4,5,6,7,8-octafluoronaphthalene (OFN, CF) as the coformers was designed and synthesized. Structure analysis revealed that these layered structures were due to charge transfer, π-π interactions and hydrogen bonding. Density functional theory (DFT) calculations show that fluoranthene-TCNB and fluoranthene-TFP have charge-transfer properties, while fluoranthene-OFN does not, indicating that fluoranthene-OFN has arene-perfluoroarene (AP) interactions, which was also demonstrated by spectroscopic analysis, which shows that the photophysical properties of luminescent materials can be tuned by forming cocrystals. These results all prove that utilizing supramolecular cocrystals to develop new fluorescent materials is an effective strategy, which has much potential in optoelectronic applications.
设计并合成了一系列以荧蒽（CH）为荧光团，苯-1,2,4,5-四氰基（TCNB，CHN）、2,3,5,6-四氟苯-1,4-二氰基（TFP，CFN）和 1,2,3,4,5,6,7,8-八氟萘（OFN，CF）为共晶的发光共晶。结构分析表明，这些层状结构是由于电荷转移、π-π相互作用和氢键。密度泛函理论（DFT）计算表明，荧蒽-TCNB 和荧蒽-TFP 具有电荷转移特性，而荧蒽-OFN 则没有，这表明荧蒽-OFN 具有芳烃-全氟芳烃（AP）相互作用，这也被光谱分析证明，表明通过形成共晶可以调节发光材料的光物理性质。这些结果都证明了利用超分子共晶来开发新型荧光材料是一种有效的策略，在光电应用方面具有很大的潜力。
