物理化学学报
物理化學學報
물이화학학보
ACTA PHYSICO-CHIMICA SINICA
2013年
5期
1115-1122
,共8页
任静琨%许慧侠*%屈丽桃%郝玉英*%王华%许并社
任靜琨%許慧俠*%屈麗桃%郝玉英*%王華%許併社
임정곤%허혜협*%굴려도%학옥영*%왕화%허병사
红色磷光材料%1-苯基吡唑%1-苯基异喹啉%光电特性%掺杂浓度
紅色燐光材料%1-苯基吡唑%1-苯基異喹啉%光電特性%摻雜濃度
홍색린광재료%1-분기필서%1-분기이규람%광전특성%참잡농도
Red phosphorescence material%1-phenylphrazole%1-phenylisoquinoline%Optoelectronic characteristic%Doping concentration
合成了一种新型红色磷光配合物二(1-苯基咪唑)(1-苯基异喹啉)合铱((ppz)2Ir(piq)),通过核磁共振氢谱(1H NMR)对其结构进行了表征,通过紫外-可见(UV-Vis)吸收光谱、荧光光谱、低温磷光光谱、循环伏安法及含时密度泛函理论(TD-DFT)对其光物理性能及能级结构进行了研究.制备了一系列基于(ppz)2Ir(piq)的电致发光器件,研究了(ppz)2Ir(piq)的电致发光性质.结果表明,(ppz)2Ir(piq)的UV-Vis吸收峰主要位于296、342、395和460 nm,固态粉末的室温磷光发射峰位于618 nm,在2-甲基四氢呋喃(2-MeTHF)溶液中其低温磷光发射峰位于598 nm,其三线态能级(ET)为2.07 eV.(ppz)2Ir(piq)的最高占据轨道(HOMO),其主要定域于配体ppz和金属Ir(III)上,最低未占据轨道(LUMO)主要定域于配体piq上.(ppz)2Ir(piq)的HOMO和LUMO能级分别为-5.92和-3.62 eV.基于(ppz)2Ir(piq)电致发光器件的优化掺杂浓度为8%-12%(w),最大电致发光谱峰位于616 nm,最大电流效率约10 cd·A-1,最大功率效率为4.44 lm·W-1,色坐标保持在(0.65,0.35)附近,是一种潜在的饱和红光磷光材料.
閤成瞭一種新型紅色燐光配閤物二(1-苯基咪唑)(1-苯基異喹啉)閤銥((ppz)2Ir(piq)),通過覈磁共振氫譜(1H NMR)對其結構進行瞭錶徵,通過紫外-可見(UV-Vis)吸收光譜、熒光光譜、低溫燐光光譜、循環伏安法及含時密度汎函理論(TD-DFT)對其光物理性能及能級結構進行瞭研究.製備瞭一繫列基于(ppz)2Ir(piq)的電緻髮光器件,研究瞭(ppz)2Ir(piq)的電緻髮光性質.結果錶明,(ppz)2Ir(piq)的UV-Vis吸收峰主要位于296、342、395和460 nm,固態粉末的室溫燐光髮射峰位于618 nm,在2-甲基四氫呋喃(2-MeTHF)溶液中其低溫燐光髮射峰位于598 nm,其三線態能級(ET)為2.07 eV.(ppz)2Ir(piq)的最高佔據軌道(HOMO),其主要定域于配體ppz和金屬Ir(III)上,最低未佔據軌道(LUMO)主要定域于配體piq上.(ppz)2Ir(piq)的HOMO和LUMO能級分彆為-5.92和-3.62 eV.基于(ppz)2Ir(piq)電緻髮光器件的優化摻雜濃度為8%-12%(w),最大電緻髮光譜峰位于616 nm,最大電流效率約10 cd·A-1,最大功率效率為4.44 lm·W-1,色坐標保持在(0.65,0.35)附近,是一種潛在的飽和紅光燐光材料.
합성료일충신형홍색린광배합물이(1-분기미서)(1-분기이규람)합의((ppz)2Ir(piq)),통과핵자공진경보(1H NMR)대기결구진행료표정,통과자외-가견(UV-Vis)흡수광보、형광광보、저온린광광보、순배복안법급함시밀도범함이론(TD-DFT)대기광물이성능급능급결구진행료연구.제비료일계렬기우(ppz)2Ir(piq)적전치발광기건,연구료(ppz)2Ir(piq)적전치발광성질.결과표명,(ppz)2Ir(piq)적UV-Vis흡수봉주요위우296、342、395화460 nm,고태분말적실온린광발사봉위우618 nm,재2-갑기사경부남(2-MeTHF)용액중기저온린광발사봉위우598 nm,기삼선태능급(ET)위2.07 eV.(ppz)2Ir(piq)적최고점거궤도(HOMO),기주요정역우배체ppz화금속Ir(III)상,최저미점거궤도(LUMO)주요정역우배체piq상.(ppz)2Ir(piq)적HOMO화LUMO능급분별위-5.92화-3.62 eV.기우(ppz)2Ir(piq)전치발광기건적우화참잡농도위8%-12%(w),최대전치발광보봉위우616 nm,최대전류효솔약10 cd·A-1,최대공솔효솔위4.44 lm·W-1,색좌표보지재(0.65,0.35)부근,시일충잠재적포화홍광린광재료.
The synthesis, characterization, photophysical and electrophosphorescent properties of iridium(III) complex [(ppz)2Ir(piq)] (ppz=1-phenylpyrazole, piq=1-phenylisoquinoline) are reported. The structure was defined by proton nuclear magnetic resonance (1H NMR). The photophysical properties and energy-level structure of [(ppz)2Ir(piq)] are studied by ultraviolet-visble (UV-Vis) absorption, fluorescence, and phosphorescent spectroscopies at 77 K, cyclic voltammetry (CV), and time-dependent density functional theory (TD-DFT) calculation. The electroluminescent properties of [(ppz)2Ir(piq)] using 4,4?-bis(9-carbazolyl)-1, 1?-biphenyl (CBP) as a host are investigated. Absorption bands of [(ppz)2Ir(piq)] are located at about 296, 342, 395, and 442 nm. [(ppz)2Ir(piq)] exhibits red phosphorescent emission with a peak at 618 nm in CH2Cl2 solution at room temperature and 598 nm in 2-methyltetrahydrofuran (2-MeTHF) at 77 K, from which its triplet state energy (ET) is estimated to be 2.07 eV. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) levels of [(ppz)2Ir(piq)] are-5.92 and-3.62 eV, respectively. A theoretical calculation reveals that the HOMO of [(ppz)2Ir(piq)] is mainly distributed on ppz and the iridium ion, while the LUMO is mainly centered on piq. Organic light-emitting diodes (OLEDs) containing [(ppz)2 Ir(piq)]-doped CBP emitting layer exhibit an electroluminescence (EL) maximum at 616 nm, an optimized doping concentration of 8%-12%(w), maximum current efficiency of about 10 cd·A-1, maximum power efficiency of 4.44 lm·W-1, and International Commission on Il umination (CIE) coordinates of (0.65, 0.35). This investigation provides an important experimental basis for the application of [(ppz)2Ir(piq)] in organic electroluminescent devices.
