First-Principles Studies on the Efficient Photoluminescent Iridium(III) Complexes with C boolean AND N=N Ligands
文献类型：期刊论文
| 作者 | Shi LL ; Su JJ ; Wu ZJ |
| 刊名 | inorganic chemistry
 |
| 出版日期 | 2011 |
| 卷号 | 50期号:12页码:5477-5484 |
| 关键词 | LIGHT-EMITTING-DIODES INTERNAL PHOSPHORESCENCE EFFICIENCY EFFECTIVE CORE POTENTIALS IR-III COMPLEXES MOLECULAR CALCULATIONS IR(III) COMPLEXES ELECTRON-TRANSFER EN-ROUTE ENERGY DEVICES |
| ISSN号 | 0020-1669 |
| 通讯作者 | wu zj |
| 中文摘要 | the electronic structures and photophysical properties of several homoleptic iridium complexes irl(3) with c(boolean and)n=n ligands, including 1 (l = 3,6-diphenylpyridazine), 2 (l = 1,4-diphenylphthalazine), 3 (l = 3-phenyl-sh-indeno-[1,2-c]pyridazine), and 4 (l = 3-phenylbenzo cinnoline), are investigated using the density functional method. the comparison between the calculated results of the four complexes shows that the assumed complex 4 may possess higher photoluminescent quantum efficiency than complexes 1-3 and is the potential candidate to be an efficient green-emitting material. the photophysical properties of the assumed complex 3 can be comparable to that of experimentally found complex 1. for 1 and 3, the emission energies are nearly the same, consistent with their similar homo-lumo energy gaps. their emission characters are also similar and mainly dominated by one ligand. for 4 and the experimentally found complex 2, although they have similar homo-lumo energy gaps, and their luminescent nature is nearly the same and dominated by the three ligands, the emission spectrum of 4 is blue-shifted as compared to that of 2. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000291422100025 |
| 公开日期 | 2012-06-11 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/44557]  |
| 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 | Shi LL,Su JJ,Wu ZJ. First-Principles Studies on the Efficient Photoluminescent Iridium(III) Complexes with C boolean AND N=N Ligands[J]. inorganic chemistry,2011,50(12):5477-5484. |
| APA | Shi LL,Su JJ,&Wu ZJ.(2011).First-Principles Studies on the Efficient Photoluminescent Iridium(III) Complexes with C boolean AND N=N Ligands.inorganic chemistry,50(12),5477-5484. |
| MLA | Shi LL,et al."First-Principles Studies on the Efficient Photoluminescent Iridium(III) Complexes with C boolean AND N=N Ligands".inorganic chemistry 50.12(2011):5477-5484. |
入库方式： OAI收割
来源：长春应用化学研究所
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