Theoretical study on the electronic structures and photophysical properties of a series of Ir(III) complexes based on substituted 2-(pyrazol-3-yl)pyridine ligand
文献类型：期刊论文
| 作者 | Shang XH ; Han DM ; Li DF ; Guan S ; Wu ZJ |
| 刊名 | chemical physics letters
 |
| 出版日期 | 2013 |
| 卷号 | 588页码:68-75 |
| 关键词 | LIGHT-EMITTING DEVICES CYCLOMETALATED IRIDIUM(III) COMPLEXES DENSITY-FUNCTIONAL THEORY PHOSPHORESCENT OLEDS EXCITED-STATES EN-ROUTE EFFICIENCY BLUE ENERGY EMISSION |
| ISSN号 | 0009-2614 |
| 通讯作者 | wu zj |
| 中文摘要 | the electronic structures and photophysical properties of a series of heteroleptic iridium(iii) complexes have been investigated by using the density functional theory. by changing the conjugation length and substituents of the ancillary ligand, one can tune the emission color from blue(lambda(em) = 470 nm) to orange (lambda(em) = 542 nm). -cf3 substituents at different positions at ancillary ligands have an important effect on tuning the emitting color. the larger metal-to-ligand charge transfer character, highest mu(s1) value, and the smallest delta es1-t1 value for the complex 6 increase its phosphorescent quantum efficiency than those of other complexes. (c) 2013 elsevier b. v. all rights reserved. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000326870500013 |
| 公开日期 | 2014-04-15 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/49458]  |
| 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 | Shang XH,Han DM,Li DF,et al. Theoretical study on the electronic structures and photophysical properties of a series of Ir(III) complexes based on substituted 2-(pyrazol-3-yl)pyridine ligand[J]. chemical physics letters,2013,588:68-75. |
| APA | Shang XH,Han DM,Li DF,Guan S,&Wu ZJ.(2013).Theoretical study on the electronic structures and photophysical properties of a series of Ir(III) complexes based on substituted 2-(pyrazol-3-yl)pyridine ligand.chemical physics letters,588,68-75. |
| MLA | Shang XH,et al."Theoretical study on the electronic structures and photophysical properties of a series of Ir(III) complexes based on substituted 2-(pyrazol-3-yl)pyridine ligand".chemical physics letters 588(2013):68-75. |
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来源：长春应用化学研究所
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