Origin of Rare and Highly Efficient Phosphorescent and Electroluminescent Iridium(III) Complexes Based on C boolean AND N=N Ligands, A Theoretical Explanation
文献类型：期刊论文
| 作者 | Li XN ; Wu ZJ ; Liu XJ ; Zhang HJ |
| 刊名 | journal of physical chemistry a
 |
| 出版日期 | 2010 |
| 卷号 | 114期号:34页码:9300-9308 |
| 关键词 | DENSITY-FUNCTIONAL THEORY INDUCED BLUE PHOSPHORESCENCE EFFECTIVE CORE POTENTIALS EXCITED-STATE PROPERTIES LIGHT-EMITTING DEVICES REORGANIZATION ENERGIES MOLECULAR CALCULATIONS SPECTRAL PROPERTIES CIRCULAR-DICHROISM IR(III) COMPLEXES |
| ISSN号 | 1089-5639 |
| 通讯作者 | zhang hj |
| 中文摘要 | the origin of the rare and highly strong phosphorescent (pl) and electroluminescent (el) ir(iii) complexes with c boolean and n=n ligand, tris[3,6-bis(phenyl)pyridazinato-n-1,c-2]iridium (ir(bppya)(3)) (1), tris[1,4-bis(phenyl)phthalazine]iridium (ir(bppa)(3)) (2), and tris[1-(2,6-dimethylphenoxy)-4-(4-chlorophenyl)phthalazine]iridium ((ir(m-pcppz)(3)) (3) are investigated theoretically. by changing the conjugation length of the c boolean and n=n ligand from bppya to bppa, one can tune the emission color from green in 1 to saturated red in 2. the addition of sterically bulky phenolic substituents in 3 exhibits the highest external quantum efficiency of 20.2% ph el(-1) and luminescence efficiency of 18.4 cd a(-1). density functional theory (dft) and time-dependent dft (tddft) methods are used to rationalize these properties. the more promising pl and el properties of 3 result from the bulky phenolic group, which acts as a pendant at the periphery of the emitting core and protects the emitting core from the hazardous intermolecular interaction of emitters and reduces luminescence quenching. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000281128900042 |
| 公开日期 | 2012-04-26 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/43514]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Li XN,Wu ZJ,Liu XJ,et al. Origin of Rare and Highly Efficient Phosphorescent and Electroluminescent Iridium(III) Complexes Based on C boolean AND N=N Ligands, A Theoretical Explanation[J]. journal of physical chemistry a,2010,114(34):9300-9308. |
| APA | Li XN,Wu ZJ,Liu XJ,&Zhang HJ.(2010).Origin of Rare and Highly Efficient Phosphorescent and Electroluminescent Iridium(III) Complexes Based on C boolean AND N=N Ligands, A Theoretical Explanation.journal of physical chemistry a,114(34),9300-9308. |
| MLA | Li XN,et al."Origin of Rare and Highly Efficient Phosphorescent and Electroluminescent Iridium(III) Complexes Based on C boolean AND N=N Ligands, A Theoretical Explanation".journal of physical chemistry a 114.34(2010):9300-9308. |
入库方式： OAI收割
来源：长春应用化学研究所
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