Purely organic phosphors with persistent room-temperature phosphorescence (RTP) demonstrate promising potential applications in optoelectronic area, bioimaging, and chemical sensing. However, it is still a formidable challenge to further design new organic phosphors due to the unclear mechanism to produce ultralong phosphorescence lifetimes. This paper investigates the correlation between the ultralong phosphorescence lifetime and structure of a series of 4-carbonylphenylboronic acid derivatives in the crystal state. Experimental and calculation results reveal that the electron-donating effect of substituents makes the phosphorescence lifetime longer by not only weakening the vibration relaxation of the excited triplet state but also increasing the energy of T₁. Moreover, numerous intermolecular interactions for reducing nonradiative relaxation and the degree of the π–π stacking for stabilizing the triplet state are beneficial to the persistent RTP. The work is conducted to clarify the structure–property correlation of phosphorescent materials and design new persistent phosphors. Finally, an attempt is completed using phosphorescent materials to design two-dimensional or three-dimensional codes and anticounterfeiting applications.

中文翻译：

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电子给体和分子间相互作用对4-羰基苯基硼酸超长磷光寿命的影响

具有持久室温磷光（RTP）的纯有机磷光体在光电子领域，生物成像和化学传感领域显示出广阔的应用前景。然而，由于尚不清楚产生超长磷光寿命的机理，进一步设计新的有机磷光体仍然是一个巨大的挑战。本文研究了超长磷光寿命与一系列处于晶体状态的4-羰基苯基硼酸衍生物的结构之间的相关性。实验和计算结果表明，取代基的供电子作用不仅减弱了激发三重态的振动弛豫，而且增加了T ₁的能量，从而延长了磷光寿命。。此外，减少非辐射弛豫的大量分子间相互作用以及稳定三重态的π-π堆积程度都有利于持久RTP。进行这项工作以阐明磷光材料的结构与特性的相关性，并设计出新的持久性磷光体。最后，尝试使用磷光材料设计二维或三维代码以及防伪应用程序。