电子结构和二蒽衍生物, DBMA 和 DAA 的光性质,被试验性的技术和量化学药品计算调查。循环伏安法和微分脉搏极谱法测量表明蒽块罐头上的 benzol-imidazol 和 pyrrolo-pyridine 组的介绍影响 DBMA 和 DAA 的电气化学的行为。紫外 / 可见的吸收和排放系列 ofDBMA 和 DAA 与 unsubstituted 蒽相对照是转移红的,以便蒽衍生物在蓝绿色的区域射出,光收益显著地被提高(在 90percent 上) 。探索的 B3LYP/6-31G 理论计算蒽衍生物的电子结构被方面使不安,这在接受能力和 HOMO-LUMO 精力差距的减少的提高的电子在蒽块,和电子结构结果的细微变化上代替,它是要变的排放的起源toblue绿的区域。DBMA 和 DAA 的非平面的几何学结构为优秀的光收益负责。
The electronic structures and the optical properties of two anthracene derivatives, DBMA and DAA, are investigated by both experimental techniques and quantum chemical calculations. The cyclic voltammetry and differential pulse polarograph measurement revealed that the introduction of ben- zol-imidazol and pyrrolo-pyridine group on the anthracene block can affect the electrochemical behavior of DBMA and DAA. Both UV/visible absorption and emission spectra of DBMA and DAA are red-shifted in contrast to the unsubstituted anthracene, so that the anthracene derivatives emit at blue-green region and the luminescence yields are remarkably elevated (over 90%). The B3LYP/6-31G theoretical calculations explored that the electronic structures of the anthracene derivatives are perturbed by the side substitutes on the anthracene block, and the slight variation of the electronic structures results in the enhanced electron accepting ability and the decrease of the HOMO-LUMO energy gap which is the origin of the emission to be shifted to blue-green region. The non-planar geometry structures of DBMA and DAA are responsible for the excellent luminescence yields.