基于苯并三氮唑类化合物的铱络合物的合成及性能

Synthesis and Characterization of Iridium Complexes Based on Benzotriazole Derivatives

金属铱络合物由于其特殊的光物理化学性质而得到了广泛的关注。主要研究了配体为苯并三氮唑衍生物的三种新型铱配合物,Ir(TBT)、Ir(EBT)和Ir(CBT)的合成及表征,并对其物理性能进行了一定的研究。通过研究发现该类铱化合物的最大发射波长可以通过修饰配体调节,其中化合物Ir(TBT)的最大发光峰为598nm,并且利用Gaussian 03、B3LYP/6-31G*程序对三个配体进行量子化学计算,计算结果与实验结果吻合。通过差热分析法对其进行热稳定性测试后发现其玻璃化温度为133℃,该类化合物在电致发光领域具有潜在的应用价值。

Recently, phosphorescent materials like iridium （Ⅲ） complexes have been attracted a lot of interest for their potential application on fabricating organic light emitting diodes （OLEDs） and their high phosphorescence quantum efficiency which is due to mixing the singlet and the triplet excited states via spin-orbit coupling and enhancing the triplet-state subsequently. In our work, a series of new iridium complexes were synthesized based on the ligands of benzotriazole derivatives. Complexes Ir（TBT）,Ir（EBT）, Ir（CBT） were characterized by ^1H NMR and ESI. In addition, steady photoluminescence studies reveal that Ir（TBT） ,Ir（CBT） and Ir（EBT） exhibit orange-red, orange and yellow fluorescent emissions in solid state at room temperature, respectively. According to the study, it is found that the emission maximum of these complexes can be tuned by modified ligands. Theoretical studies of electronic structures were carried out using density functional theory at the B3LYP/6-31G^＊ level in order to gain a good understanding of the luminescent behaviors of these materials. The quantum chemistry calculation results are accordant with the experiment study. In addition, the thermal stability was also investigated by DSC and Tg is located about 133 ℃, which shows the material Ir（TBT） meets the thermal request for OLEDs materials. Based on the study, it shows that these complexes could be designed as OLEDs materials. Our work proves that the iridium complexes based on benzotriazole derivatives can be perfect candidates for fabricating OLEDs.