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首页> 外文期刊>Optical Materials >An oxadiazole-functionalized ligand and its yellow-emitting Re(I) complex for organoelectronic application
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An oxadiazole-functionalized ligand and its yellow-emitting Re(I) complex for organoelectronic application

机译：恶二唑官能化的配体及其发黄的Re（I）络合物，用于有机电子应用

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摘要

A Re(I) complex of Re(CO)_3(PTO)Br with 2-(pyridin-2-yl)-5-p-tolyl-1,3,4-oxadiazole (PTO) as the diamine ligand is synthesized, resulting in a phosphorescent emitter which contains oxadiazole functional moiety. Single crystal analysis confirms that oxadiazole moiety of PTO ligand participates in the coordination with Re center. Coordination ability difference between N atom from pyridine ring and that from oxadiazole moiety is found. Density functional theory calculation on the crystal suggests that the onset electronic transition owns a mixed character of metal-to-ligand-charge-transfer and ligand-to-ligand-charge-transfer. Upon photon excitation, Re(CO)_3(PTO)Br exhibits a yellow emission peaking at 549 nm with a short excited state lifetime of 0.15 μs. Further measurements suggest that Re(CO)_3(PTO)Br owns HOMO and LUMO energy levels of -5.79 V and -3.49 V and a high decomposition temperature of 322 ℃. The optimal electroluminescence device using Re(CO)_3(PT0)Br as the emitting dopant shows an orange light of 598 nm, with a maximum luminance of 4600 cd/m~2 and a maximum current efficiency of 11.5 cd/A.
机译：合成了Re（CO）_3（PTO）Br与2-（吡啶-2-基）-5-p-甲苯基-1,3,4-恶二唑（PTO）作为二胺配体的Re（I）配合物，产生含有恶二唑官能团的磷光发射体。单晶分析证实PTO配体的恶二唑部分参与了与Re中心的配位。发现来自吡啶环的N原子与来自恶二唑部分的N原子之间的配位能力差异。对晶体的密度泛函理论计算表明，起始电子跃迁具有金属到配体电荷转移和配体到配体电荷转移的混合特征。在光子激发时，Re（CO）_3（PTO）Br在549 nm处出现黄色发射峰，激发态寿命为0.15μs。进一步的测量表明，Re（CO）_3（PTO）Br的HOMO和LUMO能级分别为-5.79 V和-3.49 V，分解温度较高，为322℃。以Re（CO）_3（PT0）Br作为发光掺杂剂的最佳电致发光器件显示598 nm的橙色光，最大亮度为4600 cd / m〜2，最大电流效率为11.5 cd / A。

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