Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties. Issue 9 (24th August 2021)

• Record Type: Journal Article
• Authors: Wu, Pengfei; Zhou, Long; Xia, Shuwei; Yu, Liangmin
• Is Part Of: Acta crystallographica. Volume 77:Issue 9(2021)
• Page Start: 551
• Page End: 560
• Publication Date: 2021-08-24
• Subjects: self‐assembly -- supramolecular cocrystal -- fluorescent luminescent material -- crystal structure analysis -- DFT -- fluoranthene -- naphthalene -- terephthalonitrile -- benzonitrile; Crystallography -- Periodicals; Crystals -- Periodicals; 548.3
• DOI: 10.1107/S2053229621008652
• Languages: English
• ISSNs: 2053-2296

Abstract

Abstract : A series of luminescent cocrystals with fluoranthene as fluorophore and 1, 2, 4, 5‐tetracyanobenzene (TCNB), tetrafluoroterephthalonitrile (TFP) and octafluoronaphthalene (OFN) as coformer was designed and synthesized. Structure analysis revealed that the layered structures were due to charge transfer, π–π interactions and hydrogen bonding. Abstract : A series of luminescent cocrystals with fluoranthene (C16 H10 ) as the fluorophore and benzene‐1, 2, 4, 5‐tetracarbonitrile (TCNB, C10 H2 N4 ), 2, 3, 5, 6‐tetrafluorobenzene‐1, 4‐dicarbonitrile (TFP, C8 F4 N2 ) and 1, 2, 3, 4, 5, 6, 7, 8‐octafluoronaphthalene (OFN, C10 F8 ) 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.