Color tuning from red to green of bis-cyclometalated iridium(III) emitters based on benzoimidazole ligands in OLEDs: A DFT and TD-DFT investigation
文献类型：期刊论文
| 作者 | Wang, Li1; Wang, Na1; Zhang, Yanxin1; He, Hongqing2 ; Zhang, Jinglai1
|
| 刊名 | SYNTHETIC METALS
 |
| 出版日期 | 2014-08-01 |
| 卷号 | 194页码:160-169 |
| 关键词 | Iridium(III) complexes Phosphorescence Quantum yield Electroluminescence |
| 英文摘要 | A DFT/TD-DFT theoretical study has been performed to elucidate the properties of a series of Ir(III) complexes {(xbi)(2)Ir(acac)}, where bi = cyclometalated benzoimidazole; acac = acetylacetonate; x = phenyl (pbi) (1); naphthalene (nbi) (2); phenanthrene (pnbi) (3); ph-cyclopentadiene-ph (fbi) (4); ph-pyrrol-ph (cbi) (5); ph-pyridine-ph (pybi) (6); ph-thiophene-ph (tabi) (7); thiophene (tbi) (8). By changing the conjugation length of benzoimidazole ligand and substitution on the benzoimidazole, the emitting color can be switched from red to green. The theoretical investigations shed some light on the reasons that phosphorescence performance of 1,4, and 5 is better than others. These new structure-property relationships can guide an improved design and optimization of Ir-based emitting complexes. (C) 2014 Elsevier B.V. All rights reserved. |
| WOS标题词 | Science & Technology ; Technology ; Physical Sciences |
| 类目[WOS] | Materials Science, Multidisciplinary ; Physics, Condensed Matter ; Polymer Science |
| 研究领域[WOS] | Materials Science ; Physics ; Polymer Science |
| 关键词[WOS] | DENSITY-FUNCTIONAL THEORY ; EFFECTIVE CORE POTENTIALS ; TRANSFER EXCITED-STATES ; ELECTRON-TRANSFER ; REORGANIZATION ENERGIES ; MOLECULAR CALCULATIONS ; TRANSITION-ELEMENTS ; EMISSION PROPERTIES ; IR(III) COMPLEXES ; EXCITATION-ENERGY |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000338979300024 |
| 公开日期 | 2015-07-14 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/1301]  |
| 专题 | 武汉物理与数学研究所_理论与交叉研究部 |
| 作者单位 | 1.Henan Univ, Coll Chem & Chem Engn, Inst Environm & Analyt Sci, Kaifeng 475004, Henan, Peoples R China 2.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan Ctr Magnet Resonance, Wuhan 430071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Li,Wang, Na,Zhang, Yanxin,et al. Color tuning from red to green of bis-cyclometalated iridium(III) emitters based on benzoimidazole ligands in OLEDs: A DFT and TD-DFT investigation[J]. SYNTHETIC METALS,2014,194:160-169. |
| APA | Wang, Li,Wang, Na,Zhang, Yanxin,He, Hongqing,&Zhang, Jinglai.(2014).Color tuning from red to green of bis-cyclometalated iridium(III) emitters based on benzoimidazole ligands in OLEDs: A DFT and TD-DFT investigation.SYNTHETIC METALS,194,160-169. |
| MLA | Wang, Li,et al."Color tuning from red to green of bis-cyclometalated iridium(III) emitters based on benzoimidazole ligands in OLEDs: A DFT and TD-DFT investigation".SYNTHETIC METALS 194(2014):160-169. |
入库方式： OAI收割
来源：武汉物理与数学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。