Theoretical study on photophysical properties of cyclometalated cationic iridium(III) complexes containing dipyrido[3,2-f:2 ',3 '-h]quinoxaline ligand

	Theoretical study on photophysical properties of cyclometalated cationic iridium(III) complexes containing dipyrido[3,2-f:2 ',3 '-h]quinoxaline ligand
	Su JJ ; Sun XB ; Gahungu G ; Qu XC ; Liu YQ ; Wu ZJ
刊名	synthetic metals
	2012
卷号	162 期号:15-16 页码:1392-1399
关键词	DENSITY-FUNCTIONAL THEORY POLARIZABLE CONTINUUM MODEL ENERGY-GAP LAW EXCITED-STATES ELECTROLUMINESCENT DEVICES IR(III) COMPLEXES ELECTROCHEMICAL PROPERTIES BLUE PHOSPHORESCENCE EXCITATION-ENERGIES ANCILLARY LIGAND
ISSN号	0379-6779
通讯作者	wu zj
中文摘要	we report a theoretical analysis of a family of cyclometalated cationic iridium(111) complexes: [ir(c (n) over cap)(2)(n (n) over cap)](+) [n (n) over cap = dipyrido[3,2-f:2',3'-h]quinoxaline(dpq), hc (n) over cap = 1-phenylpyrazole(hppz) (1); hc (n) over cap = 7,8-benzoquinoline(hbzq) (2); hc (n) over cap = 2-phenylquinoline(hpq) (3); hc (n) over cap = 1-(2,4-diflourophenyl) pyrazole(hdfppz) (4), hc (n) over cap = 1-(2,4-dimethylphenyl) pyrazole(hdmppz) (5), hc (n) over cap = 1-(2,4-diflourophenyl)-1,2,4-triazole(hdfptz) (6)] by using density functional theory (oft) method to investigate their optoelectronic properties and understand the phosphorescent efficiency mechanism. complexes 1-3 exhibit green to yellow luminescence. the different quantum efficiencies of 1-3 in methanol (meoh), acetonitrile (ch3cn), and dichloromethane (ch2cl2) solvents have been explained by calculated results. complexes 4 and 5 show different trend in the absorption and emission spectra comparing with 1 due to the added different substituent on the phenyl of ppzh. the emission wavelength of the assumed complex 6 bearing the triazole in c (n) over cap ligand is blue-shifted to the blue region. we suggest complex 6 might be a potential candidate as blue-emitting material. (c) 2012 elsevier b.v. all rights reserved.
收录类别	SCI收录期刊论文
语种	英语
WOS记录号	WOS:000308051700010
公开日期	2013-04-23
内容类型	期刊论文
源URL	[http://ir.ciac.jl.cn/handle/322003/47975]
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	Su JJ,Sun XB,Gahungu G,et al. Theoretical study on photophysical properties of cyclometalated cationic iridium(III) complexes containing dipyrido[3,2-f:2 ',3 '-h]quinoxaline ligand[J]. synthetic metals,2012,162(15-16):1392-1399.
APA	Su JJ,Sun XB,Gahungu G,Qu XC,Liu YQ,&Wu ZJ.(2012).Theoretical study on photophysical properties of cyclometalated cationic iridium(III) complexes containing dipyrido[3,2-f:2 ',3 '-h]quinoxaline ligand.synthetic metals,162(15-16),1392-1399.
MLA	Su JJ,et al."Theoretical study on photophysical properties of cyclometalated cationic iridium(III) complexes containing dipyrido[3,2-f:2 ',3 '-h]quinoxaline ligand".synthetic metals 162.15-16(2012):1392-1399.