Comparative study of electronic structure and optical properties of a series of Pt(II) complexes containing different electron-donating and -withdrawing groups: a DFT study
文献类型：期刊论文
| 作者 | Li XN ; Wu ZJ ; Zhang HJ |
| 刊名 | journal of physical organic chemistry
 |
| 出版日期 | 2010 |
| 卷号 | 23期号:3页码:181-189 |
| 关键词 | DENSITY-FUNCTIONAL THEORY LIGHT-EMITTING DEVICES BOOLEAN-AND-N PHOSPHORESCENT PLATINUM(II) COMPLEXES CYCLOMETALATED IRIDIUM COMPLEXES EFFECTIVE CORE POTENTIALS SPECTROSCOPIC PROPERTIES PHOTOPHYSICAL PROPERTIES REORGANIZATION ENERGIES MOLECULAR CALCULATIONS |
| ISSN号 | 0894-3230 |
| 通讯作者 | zhang hj |
| 中文摘要 | we report a quantum-chemistry study of electronic structures and spectral properties of a series of pt(ii) complexes containing different substituents (-ch3 (1), -och3 (2), -no2 (3), -cf3 (4), and -cooh (5)). 1 and 2 have been previously synthesized in experiment, while 3-5 are artificial complexes that we suggest can be used to investigate the electron-withdrawing effect on charge injection, transport, absorption, and phosphorescence properties. the results reveal that the stronger electron-donating and -withdrawing groups show stronger absorption intensity, while the phosphorescence efficiency is generally higher for complexes containing electron-donating substituents. 1 and 2 are easier for hole injection, while 3-5 are easier for electron injection. the enhanced electron injection abilities of 3-5 will confine more excitons in the light-emitting layer (eml) and may not result in lower electroluminescence (el) efficiency than 1 and 2. these results suggest that the three artificial complexes may be new emitters in organic light-emitting diodes (oleds). copyright (c) 2009 john wiley & sons, ltd. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000275678900001 |
| 公开日期 | 2012-06-07 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/43846]  |
| 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,Zhang HJ. Comparative study of electronic structure and optical properties of a series of Pt(II) complexes containing different electron-donating and -withdrawing groups: a DFT study[J]. journal of physical organic chemistry,2010,23(3):181-189. |
| APA | Li XN,Wu ZJ,&Zhang HJ.(2010).Comparative study of electronic structure and optical properties of a series of Pt(II) complexes containing different electron-donating and -withdrawing groups: a DFT study.journal of physical organic chemistry,23(3),181-189. |
| MLA | Li XN,et al."Comparative study of electronic structure and optical properties of a series of Pt(II) complexes containing different electron-donating and -withdrawing groups: a DFT study".journal of physical organic chemistry 23.3(2010):181-189. |
入库方式： OAI收割
来源：长春应用化学研究所
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