A large perturbation on electronic and photophysical properties of Ir(III) carbene complexes caused by the variation of N-substitution in N,N '-heteroaromatic ligands

	A large perturbation on electronic and photophysical properties of Ir(III) carbene complexes caused by the variation of N-substitution in N,N '-heteroaromatic ligands
	Liu, Yuqi ; Si, Yanling ; Wang, Ying ; Wu,Zhijian
刊名	chemical physics letters
	2014
卷号	610 期号:11 页码:394-400
关键词	LIGHT-EMITTING-DIODES DENSITY-FUNCTIONAL THEORY ORGANIC ELECTROLUMINESCENT DEVICES CYCLOMETALATED IRIDIUM COMPLEXES EFFECTIVE CORE POTENTIALS AB-INITIO MOLECULAR CALCULATIONS RED PHOSPHORESCENCE QUANTUM EFFICIENCY CIRCULAR-DICHROISM
通讯作者	wang,y
英文摘要	dft/tddft investigation was performed on the electronic and photophysical properties of blue-emitting ir(iii) carbene complexes (fpmi)(3-x)ir(n (n') over cap)(x) (x=1, 2) [fpmi=1-(4-fluorophenyl)-3-methylimidazolin-2-ylidene-c,c-2', n (n') over cap = 2-(1h-pyrazol-5-yl)pyridinato (1a(x = 1)/1a'(x = 2)); 2-(1h-imidazol-5-yl)pyridinato (1b/1b'); 2-(1h-imidazol-2-yl)pyridinato (1c/1c'); 2-(1h-1,2,4-triazol-5-yl)pyridinato (2a/2a'; 2-(1h-1,2,3-triazol-5-yl)pyridinato (2b/2b'; 2-(4h-1,2,4-triazol-3-yl)pyridinato (2c/2c']. the absorption intensities and band positions are obviously affected by the variation of n substitution in (n') over cap ligand. the emission properties show an apparent dependence on the solvent effects, and the (n') over cap ligand plays an important role in governing the emissive state. the pyrazolyl-pyridyl-based (n') over cap ligand is considered to be more beneficial for blue oleds emitters. (c) 2014 elsevier b.v. all rights reserved.
收录类别	SCI
语种	英语
公开日期	2015-10-27
内容类型	期刊论文
源URL	[http://ir.ciac.jl.cn/handle/322003/57457]
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,Si, Yanling,Wang, Ying,et al. A large perturbation on electronic and photophysical properties of Ir(III) carbene complexes caused by the variation of N-substitution in N,N '-heteroaromatic ligands[J]. chemical physics letters,2014,610(11):394-400.
APA	Liu, Yuqi,Si, Yanling,Wang, Ying,&Wu,Zhijian.(2014).A large perturbation on electronic and photophysical properties of Ir(III) carbene complexes caused by the variation of N-substitution in N,N '-heteroaromatic ligands.chemical physics letters,610(11),394-400.
MLA	Liu, Yuqi,et al."A large perturbation on electronic and photophysical properties of Ir(III) carbene complexes caused by the variation of N-substitution in N,N '-heteroaromatic ligands".chemical physics letters 610.11(2014):394-400.