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Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2021-08-24 , DOI: 10.1107/s2053229621008652 Pengfei Wu 1 , Long Zhou 1 , Shuwei Xia 1 , Liangmin Yu 1
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2021-08-24 , DOI: 10.1107/s2053229621008652 Pengfei Wu 1 , Long Zhou 1 , Shuwei Xia 1 , Liangmin Yu 1
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A series of luminescent cocrystals with fluoranthene (C16H10) as the fluorophore and benzene-1,2,4,5-tetracarbonitrile (TCNB, C10H2N4), 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile (TFP, C8F4N2) and 1,2,3,4,5,6,7,8-octafluoronaphthalene (OFN, C10F8) 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.
中文翻译：
基于荧蒽的发光共晶的合成及弱相互作用和光物理性质的分析
以荧蒽 (C 16 H 10 ) 为荧光团和苯-1,2,4,5-四甲腈 (TCNB, C 10 H 2 N 4 ), 2,3,5,6-四氟苯-1的一系列发光共晶,4-二甲腈 (TFP, C 8 F 4 N 2 ) 和 1,2,3,4,5,6,7,8-八氟萘 (OFN, C 10 F 8) 因为共形成器是设计和合成的。结构分析表明，这些层状结构是由电荷转移、π-π 相互作用和氢键引起的。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 没有，表明荧蒽-OFN 具有芳烃-全氟芳烃 (AP) 相互作用，这也通过光谱分析得到证实，这表明可以通过形成共晶来调节发光材料的光物理特性。这些结果都证明利用超分子共晶开发新型荧光材料是一种有效的策略，在光电应用中具有很大的潜力。
更新日期：2021-09-06
中文翻译：
基于荧蒽的发光共晶的合成及弱相互作用和光物理性质的分析
以荧蒽 (C 16 H 10 ) 为荧光团和苯-1,2,4,5-四甲腈 (TCNB, C 10 H 2 N 4 ), 2,3,5,6-四氟苯-1的一系列发光共晶,4-二甲腈 (TFP, C 8 F 4 N 2 ) 和 1,2,3,4,5,6,7,8-八氟萘 (OFN, C 10 F 8) 因为共形成器是设计和合成的。结构分析表明，这些层状结构是由电荷转移、π-π 相互作用和氢键引起的。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 没有，表明荧蒽-OFN 具有芳烃-全氟芳烃 (AP) 相互作用，这也通过光谱分析得到证实，这表明可以通过形成共晶来调节发光材料的光物理特性。这些结果都证明利用超分子共晶开发新型荧光材料是一种有效的策略，在光电应用中具有很大的潜力。
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