设计并合成了一种基于喹诺酮衍生物的双极绿色磷光主体材料1-甲基-3-[4-(9-咔唑基)苯基]-4-苯基喹啉-2(1 H)-酮.计算发现,化合物的HOMO轨道的电子云位于咔唑基团,LUMO轨道的电子云位于喹诺酮基团,是一种良好的双极材料.化合物的磷光发射峰为515 nm(2.41 eV),符合绿色磷光主体材料的基本要求(〉2.4 eV).热失重和差热分析结果表明,该化合物具有较高的热稳定性,分解温度和玻璃化转变温度分别为312℃和105℃.研究结果表明:该新型化合物是一种潜在的具有双极特性的绿色磷光主体材料.
A new bipolar phosphorescence host material carbostyril derivative 3-(4-(9H-carbazol-9-yl)phenyl)-1-methyl-4-phenylquinolin-2(1H)-one was designed and synthesized.Through theoretical calculations we found that the HOMO and LUMO obitals respectively localed in carbazole group and carbostyril group,that imply this compound is a good bipolar material.The compound phosphorescence emission is 515 nm(2.41 eV),meet the basic requirement of green phosphorescence host material(〉2.40 eV).TGA and DSC results show the compound has high thermal stabilities,the decomposition temperature and glass transition temperature are 312 ℃ and 105 ℃ respectively.The results show that the new compound is a potential green phosphorescence host material with bipolar feature.