Three novel end‐capping twistacene derivatives with phenyl (PyDP), naphthyl (PyDN), and anthryl groups (PyDA) have been designed and synthesized. Given the crystallographic analyses, the as‐prepared molecules exhibited a twisted topological structure with the torsion angles of 35.99° for PyDP and 45.85° for PyDA. In addition, there is no π‐stacking interaction in PyDP. However, PyDA displayed π‐stacking interactions between the terminal intermolecular anthracene groups. The electroluminescent performance of OLEDs shows that devices with PyDP and PyDA outperform the PyDN‐based device, which is attributable to their higher fluorescence quantum yields. The maximum EQE value for PyDP reaches 3.10 %, which illustrates that the terminal substituent can affect the performance of OLEDs to a certain extent.

中文翻译：

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基于Twistacenes中末端取代基的有机发光二极管分子调控

设计并合成了三种新颖的带有苯基（PyDP），萘基（PyDN）和蒽基（PyDA）的并口并四苯衍生物。通过晶体学分析，所制备的分子表现出扭曲的拓扑结构，PyDP的扭转角为35.99°，PyDA的扭转角为45.85°。此外，PyDP中没有π堆积相互作用。然而，PyDA显示了末端分子间蒽基之间的π堆积相互作用。OLED的电致发光性能表明，具有PyDP和PyDA的器件性能优于基于PyDN的器件，这归因于其较高的荧光量子产率。PyDP的最大EQE值达到3.10％，这说明末端取代基可在一定程度上影响OLED的性能。