Shedding light on unusual photophysical properties of bis-cyclometalated iridium(III) complexes containing 2,5-diaryl-1,3,4-oxadiazole-based and acetylacetonate ligands
文献类型：期刊论文
| 作者 | Godefroid G ; Su JJ ; Qu XC ; Liu YQ ; Si YL ; Shang XH ; Wu ZJ |
| 刊名 | dalton transactions
 |
| 出版日期 | 2012 |
| 卷号 | 41期号:34页码:10228-10237 |
| 关键词 | ORGANIC ELECTROLUMINESCENT DEVICES TIME-RESOLVED SPECTRA IR(III) COMPLEXES EMITTING-DIODES ELECTRONIC STATES ANCILLARY LIGANDS EXCHANGE ENERGY BLUE PHOSPHORESCENCE |
| ISSN号 | 1477-9226 |
| 通讯作者 | wu zj |
| 中文摘要 | a dft/tddft investigation was conducted on a series of cyclometalated iridium(iii) complexes with 2,5-diaryl-1,3,4-oxadiazole (oxd(n)) derivatives to shed light on the effects of the stereoisomeric and steric factors on the photophysical properties. on the basis of the results reported herein, we attempt to explain the experimental observations according to which complexes n,n-trans [ir(oxd(0))(2)(acac)] (1a) and n,n-trans [ir(oxd(1))(2)(acac)] (2a) [with oxd(0) = 2,5-diphenyl-1,3,4-oxadiazole, oxd(1) = 2,5-bis(4-fluorophenyl)-1,3,4-oxadiazole and acac = acetylacetonate] show high quantum phosphorescence efficiencies (phi(pl)) of 35 and 44%, while an extremely low phi(pl) (<1%) was observed for a number of oxd(n) based complexes including n,n-cis [ir(oxd(3))(2)(acac)] (4b) [with oxd(3) = 2-(4-fluorophenyl)-5-(2,4,6-triisopropylphenyl)-1,3,4-oxadiazole]. while new insights were gained on structural and electronic properties, the unusual photophysical properties recently reported for 4b were found to be not inherent to spin-orbit coupling (soc) effects, but determined by both the s-1-t-1 splitting energy (delta es1-t1) and the transition dipole moment (mu(s1)) upon the s-0 -> s-1 transition. drastically large delta es1-t1 and small mu(s1) for 4b (0.70 ev and 0.23 d, respectively) comparative to those for 2a (0.38 ev and 2.76 d, respectively) and 1a (0.58 ev and 2.44 d, respectively) were found to be tightly linked to the twisting degree of the oxd(n) ligand and to the trans-cis structural isomerism. on the basis of these parameters, the unusual physical properties of 4b were interpreted with respect to 1a and 2a, and the higher phi(pl) of 2a with respect to that for 1a was explained. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000307306400017 |
| 公开日期 | 2013-06-30 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/48493]  |
| 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 | Godefroid G,Su JJ,Qu XC,et al. Shedding light on unusual photophysical properties of bis-cyclometalated iridium(III) complexes containing 2,5-diaryl-1,3,4-oxadiazole-based and acetylacetonate ligands[J]. dalton transactions,2012,41(34):10228-10237. |
| APA | Godefroid G.,Su JJ.,Qu XC.,Liu YQ.,Si YL.,...&Wu ZJ.(2012).Shedding light on unusual photophysical properties of bis-cyclometalated iridium(III) complexes containing 2,5-diaryl-1,3,4-oxadiazole-based and acetylacetonate ligands.dalton transactions,41(34),10228-10237. |
| MLA | Godefroid G,et al."Shedding light on unusual photophysical properties of bis-cyclometalated iridium(III) complexes containing 2,5-diaryl-1,3,4-oxadiazole-based and acetylacetonate ligands".dalton transactions 41.34(2012):10228-10237. |
入库方式： OAI收割
来源：长春应用化学研究所
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