Wu Cuicui, Li Qiuxia, Zhang Xinghua, Shi Chao, Li Gang, Wang Mingjie, Li Kang, Yuan Aihua
School of Environmental and Chemical Engineering Jiangsu University of Science and Technology Zhenjiang 212003 P. R. China., .
School of Material Science and Engineering Jiangsu University of Science and Technology Zhenjiang 212003 P. R. China.
ChemistryOpen. 2019 Mar 28;8(3):339-343. doi: 10.1002/open.201900041. eCollection 2019 Mar.
Two novel N-embedded polycyclic units functionalized phosphorescent iridium(III) complexes ( and ) with substituents in different positions have been prepared. Complex bearing the substituent at the 3-position shows a distinct blue shift single-peak emission (524 nm) with a higher luminescence efficiency (Φ=42 %) and shorter emission lifetime (τ=282 ns) by comparison with 4-position substitution based complex (Φ=23 %, τ=562 ns), which exhibits a dual-peak emission (564 nm and 602 nm), and phosphorescence color can be tuned from green to yellow. In addition, DFT calculations demonstrate that unusual ligand-to-metal charge transfer (LMCT) excited state property can be found in , which is in contrast to metal-to-ligand charge transfer (MLCT) excited state character in . This result can be attribute to strong electron-donating character and 4-position substitution effect of the unit.
制备了两种新型的在不同位置带有取代基的氮嵌入多环单元功能化的磷光铱（III）配合物（ 和 ）。在3位带有取代基的配合物 显示出明显的蓝移单峰发射（524 nm），与基于4位取代的配合物 （Φ=23 %，τ=562 ns）相比，具有更高的发光效率（Φ=42 %）和更短的发射寿命（τ=282 ns）， 表现出双峰发射（564 nm和602 nm），磷光颜色可从绿色调至黄色。此外，密度泛函理论计算表明，在 中可以发现不寻常的配体到金属电荷转移（LMCT）激发态性质，这与 中的金属到配体电荷转移（MLCT）激发态特征形成对比。该结果可归因于该单元的强给电子特性和4位取代效应。
