Quantum chemical characterization and design of homoleptic Ir(III) complexes employing triphenylamine-featured thiazole-based ligand for efficient phosphors in OLEDs
文献类型：期刊论文
| 作者 | Liu, Yuqi ; Sun, Xiaobo ; Wang, Ying ; Wu,Zhijian |
| 刊名 | synthetic metals
 |
| 出版日期 | 2014 |
| 卷号 | 198期号:23页码:67-75 |
| 关键词 | LIGHT-EMITTING-DIODES DENSITY-FUNCTIONAL THEORY EFFECTIVE CORE POTENTIALS IRIDIUM(III) COMPLEXES CYCLOMETALATED PLATINUM(II) OPTOELECTRONIC PROPERTIES SPECTROSCOPIC PROPERTIES PHOTOPHYSICAL PROPERTIES MOLECULAR CALCULATIONS CONJUGATED POLYMERS |
| 通讯作者 | wang,y |
| 英文摘要 | the electronic structures and photophysical properties of a series of homoleptic ir(iii) complexes with triphenylamine-featured thiazole (1: fac-tris(2-phenylthiazole)iridium(iii)) and benzothiazole (2: fac-tris[6-(1-naphthalenylphenylamino)-2-phenylbenzothiazoldridium(iiid based ligands are investigated using the density functional method. by introducing the diphenylarnine unit at 2-, 3-and 4-position of the phenyl ring in (cn) ligands, la lc (la: fac-tris[2-(2-(n,n-diphenylamino)phenypthiazolepridium(iii); lb: fac-tris[2-(3-(n,n-diphenylamino)phenyl)thiazoleliridium(iii); lc: fac-tris[2-(4-(n,n-diphenylamino)phenyothiazoleflridium(iiid and 2a-2c (2a: fac-tris[6-(1naphthalenylphenylamino)-2-(2-(n,n-diphenylamino)phenypbenzothiazoleliridium(iii); 2b:fac-tris[6(1-naphthalenylphenylamino)-2-(3-(n,n-diphenylamino)phenyl)benzothiazole]iridium(iii); 2c: factris[6-(1-naphthalenylphenylamino)-2-(4-(n,n-diphenylamino)phenyl)benzothiazolellridium(111)) are studied to get insight into the influence of different ligation positions of diphenylamine unit on the photophysical properties. the calculated results showed that the incorporation of diphenylamine unit into (cn) ligands is beneficial to raise the homo levels, reducing the barrier height for hole injection and enhancing the balance of charge-transfer process. in addition, a remarkable color tuning could also be realized by altering the ligation positions of the diphenylamine units. a 82-132 nm blue shift is found for the thiazole-based la lc compared with 1, while a relatively small red shift (7-35 nm) is observed on the emissions of benzothiazole-based 2a and 2c compared with 2. meanwhile, a qualitative analysis on the parameters that would affect the quantum yields (phi(pl)) of the studied complexes has also been presented. (c) 2014 elsevier b.v. all rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000346540500010 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/57428]  |
| 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 | Liu, Yuqi,Sun, Xiaobo,Wang, Ying,et al. Quantum chemical characterization and design of homoleptic Ir(III) complexes employing triphenylamine-featured thiazole-based ligand for efficient phosphors in OLEDs[J]. synthetic metals,2014,198(23):67-75. |
| APA | Liu, Yuqi,Sun, Xiaobo,Wang, Ying,&Wu,Zhijian.(2014).Quantum chemical characterization and design of homoleptic Ir(III) complexes employing triphenylamine-featured thiazole-based ligand for efficient phosphors in OLEDs.synthetic metals,198(23),67-75. |
| MLA | Liu, Yuqi,et al."Quantum chemical characterization and design of homoleptic Ir(III) complexes employing triphenylamine-featured thiazole-based ligand for efficient phosphors in OLEDs".synthetic metals 198.23(2014):67-75. |
入库方式： OAI收割
来源：长春应用化学研究所
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