The Formation of Hydrogen-Bond Facilitated Salts with Tunable Optical Properties: An Experimental and Theoretical Study of 2,4,5-Triphenylimidazole
The Formation of Hydrogen-Bond Facilitated Salts with Tunable Optical Properties: An Experimental and Theoretical Study of 2,4,5-Triphenylimidazole
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具有可调光学性质的氢键促进盐的形成：2,4,5-三苯基咪唑的实验和理论研究
DOI：
10.1021/cg3014927
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发表时间：
2013-01
期刊：
影响因子：
--
通讯作者：
Xue Duan
中科院分区：
文献类型：
--
作者：
Bhavnita Patel;Amit Delori;William Jones;Xue Duan
调节和修饰有机荧光团的光学性质对于开发下一代发光材料具有重要意义。本文报道了2，4，5-三苯基咪唑（TPI）发色团通过氢键作用与4-溴四氟苯甲酸和丁二酸形成多组分晶体的可调谐荧光。观察到两个相邻TPI分子之间的堆积方式的变化，从纯TPI晶体中的交错图案到多组分晶体中的反对称平行排列。与纯TPI晶体相比，合成的有机盐具有明显的红移发射和增强的荧光寿命。周期性密度泛函理论（DFT）计算表明，共形成物的引入会影响TPI发色团在多组分晶体中的能级结构和轨道分布.因此，通过组合…
Adjusting and modifying the optical properties of organic fluorophores are of importance for the development of the next generation of luminescent materials. Herein, we report the tunable fluorescence of 2,4,5-triphenylimidazole (TPI) chromophore by the formation of multicomponent crystals with the supramolecular building blocks, 4-bromotetrafluorobenzene carboxylic acid and tetrafluorosuccinic acid, by means of hydrogen bonding. A change in packing fashions between two adjacent TPI molecules is observed from a staggered pattern in the pure TPI crystal to an antisymmetric parallel arrangement in the multicomponent crystals. Moreover, the obtained organic salts show red-shift emission and enhanced fluorescence lifetime compared with the pure TPI crystal. Periodic density functional theoretical (DFT) calculations suggest that the introduction of the coformers can influence the energy level structures and orbital distributions of the TPI chromophore in the multicomponent crystals. Therefore, by the combinati...
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