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所属单位：化学与生命科学学院

教研室：化学教研室

发表刊物：Chemical Physics Letters

项目来源：国家自然科学基金项目

摘要：The electronic structures and photophysical properties of a series of heteroleptic iridium(III) complexes have been investigated by using the density functional theory. By changing the conjugation length and substituents of the ancillary ligand, one can tune the emission color from blue (kem = 470 nm) to orange (kem = 542 nm). –CF3 substituents at different positions at ancillary ligands have an important effect on tuning the emitting color. The larger metal-to-ligand charge transfer character, highest lS1 value, and the smallest DES1T1 value for the complex 6 increase its phosphorescent quantum efficiency than those of other complexes.

论文类型：期刊论文

卷号：588

页面范围：1

是否译文：否

发表时间：2013-11-19