A series of novel arylamine-substituted phenyl-phosphachromones were constructed via post-functionalization. As a new type of D–π–A functional molecule, their photophysical properties can be well tuned by different amino substituents at different positions with variable Stokes shifts (Δλ = 127–299 nm). Moreover, compounds 4a, 4b, 4f, 4m, and 4n exhibit an unusual dual emission with a large wavelength difference. Strong intermolecular interactions were also observed for these compounds, and therein, a sandwich π(donor)–π(donor) stacking interaction was found in the solid-state structure of 4e. Moreover, (TD-)DFT computations were performed to rationalize the observed electronic properties and intramolecular interactions. Finally, the delayed fluorescence of these D–π–A molecules in the film was observed and further confirmed to be a result of thermally activated delayed fluorescence and mixed room-temperature phosphorescence.

中文翻译：

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供体取代的苯基膦基色酮作为潜在TADF材料的合成及其光物理性质

通过后官能化构建了一系列新颖的芳基胺取代的苯基-磷基色酮。作为一种新型的d-π-A功能性分子，它们的光物理性质可以很好地通过不同的氨基取代基在具有可变斯托克斯位移的不同位置（Δ调谐λ = 127-299纳米）。而且，化合物4a，4b，4f，4m和4n表现出具有大的波长差的不寻常的双重发射。这些化合物还观察到强烈的分子间相互作用，并且在4e的固态结构中发现了夹心的π（供体）–π（供体）堆叠相互作用。。此外，进行（TD-）DFT计算以合理化观察到的电子性质和分子内相互作用。最后，在薄膜中观察到了这些D–π–A分子的延迟荧光，并进一步证实这是热激活的延迟荧光和混合的室温磷光的结果。