期刊
SYNTHETIC METALS
卷 194, 期 -, 页码 160-169出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.synthmet.2014.04.027
关键词
Iridium(III) complexes; Phosphorescence; Quantum yield; Electroluminescence
资金
- National Natural Science Foundation of China [21003036]
- Foundation for University Key Teachers from the He'nan Educational Committee Science Foundation of Henan University [SBGJ090507]
- Doctor Foundation of Henan University
A DFT/TD-DFT theoretical study has been performed to elucidate the properties of a series of Ir(III) complexes {(xbi)(2)Ir(acac)}, where bi = cyclometalated benzoimidazole; acac = acetylacetonate; x = phenyl (pbi) (1); naphthalene (nbi) (2); phenanthrene (pnbi) (3); ph-cyclopentadiene-ph (fbi) (4); ph-pyrrol-ph (cbi) (5); ph-pyridine-ph (pybi) (6); ph-thiophene-ph (tabi) (7); thiophene (tbi) (8). By changing the conjugation length of benzoimidazole ligand and substitution on the benzoimidazole, the emitting color can be switched from red to green. The theoretical investigations shed some light on the reasons that phosphorescence performance of 1,4, and 5 is better than others. These new structure-property relationships can guide an improved design and optimization of Ir-based emitting complexes. (C) 2014 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据