一种新型红光铱(Ⅲ)配合物的设计、合成与光物理性能测试  

Design,Synthesis and Properties of a Iridium(III)Complex

作　　者：刘九州 Liu Jiuzhou(College of Pharmacy,Xinjiang Medical University,Key Laboratory of Active Components of Xinjiang Natural Medicine and Drug Release Technology,Urumqi 830017,China)

机构地区：[1]新疆医科大学药学院新疆天然药物活性组分与释药技术重点实验室,新疆乌鲁木齐830017

出　　处：《广东化工》2025年第4期115-117,共3页Guangdong Chemical Industry

基　　金：新疆维吾尔自治区自然科学基金项目(2021D01C283)。

摘　　要：以三氟-1-(2-苯基)-1,3-丁二酮、2-苯基喹啉、三氯化铱(Ⅲ)水合物三种化合物为原料,合成了一种新型金属铱磷光配合物Ir(pq)_(2)(tffpd),并通过密度泛函理论(DFT)对配合物的基态几何构型进行了优化,并计算了其前线分子轨道电子云分布、能级和能隙。结构表征:通过元素分析、核磁共振谱、质谱和红外光谱表征确认了目标产物的化学结构。光物理性能表征:通过紫外-可见吸收光谱以及荧光光谱对Ir(pq)_(2)(tffpd)光物理性质进行测试,其二氯甲烷溶液在室温下的发射主峰在622 nm,发射波长半峰宽为40 nm,是一种红光材料。相较于同类化合物,通过在辅助配体苯甲酰丙酮中引入吸电子基团三氟甲基,影响铱配合物的HOMO能级,使配合物发射波长发生红移。A novel metal iridium phosphorescence complex Ir(pq)2(tffpd)was synthesized from three compounds:trifluoro-1-(2-phenyl)-1,3-butanedione,2-phenylquinoline,and iridium(III)trichloride hydrate.The ground state geometry of the complex was optimized using density functional theory(DFT),and the electron cloud distribution,energy levels,and energy gaps of its frontier molecular orbitals was calculated.Structural characterization:The chemical structure of the target product was confirmed through elemental analysis,nuclear magnetic resonance spectroscopy,mass spectrometry,and infrared spectroscopy.Characterization of photophysical properties:The photophysical properties of Ir(pq)2(tffpd)were tested by UV visible absorption spectroscopy and fluorescence spectroscopy.The main emission peak of its dichloromethane solution at room temperature was 622 nm,with an emission wavelength half width of 40 nm.It is a red light material.Compared to similar compounds,the introduction of the electron withdrawing group trifluoromethyl into the auxiliary ligand benzoyl acetone affects the HOMO energy level of iridium complexes,causing a red shift in the emission wavelength of the complexes.

关 键 词：金属铱 合成 磷光 光物理性 

分 类 号：O641.4[理学—物理化学]