In this study, three difluoroboron dibenzoylmethane compounds that have substituents at the peripheral phenyl groups varying from electron-withdrawing to electron-donating, BF ₂ dbm-F, BF ₂ dbm-H, and BF ₂ dbm-OMe, were prepared. The photophysical and electrochemical properties of these compounds, along with density functional theory and time-dependent density functional theory calculations, were systematically investigated to study the structure-property relationships of these compounds. The energy band gaps were systematically controlled, and the emission colors were tuned by the choice of substituent. In addition, the excited state behaviors of these compounds were significantly different, which resulted in variations in the fluorescence quantum yield and radiative/non-radiative decay rate constants. The BF₂dbm compounds were employed as selective chemosensors for the detection of nitro explosives by fluorescence quenching, and BF ₂ dbm-OMe showed the most efficient sensing ability for ortho-nitroaniline.

在本研究中，三种在外围苯基上具有取代基的二氟硼二苯甲酰甲烷化合物从吸电子到给电子，BF ₂ dbm-F、BF ₂ dbm-H和BF ₂ dbm-OMe ，准备好了。系统地研究了这些化合物的光物理和电化学性质，以及密度泛函理论和瞬态密度泛函理论计算，以研究这些化合物的结构-性质关系。系统地控制能带隙，并通过选择取代基来调整发射颜色。此外，这些化合物的激发态行为显着不同，导致荧光量子产率和辐射/非辐射衰减率常数发生变化。BF ₂ dbm 化合物被用作选择性化学传感器，用于通过荧光猝灭检测硝基炸药，BF ₂ dbm - OMe 显示出对邻硝基苯胺最有效的传感能力。