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Affiliation of Author(s):化学与生命科学学院

Teaching and Research Group:化学教研室

Journal:Chemical Physics Letters

Funded by:国家自然科学基金项目

Abstract: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.

Co-author:韩德明,武志坚

First Author:shangxiaohong

Indexed by:Journal paper

Volume:588

Page Number:1

Translation or Not:no

Date of Publication:2013-11-19

Pre One:【SCI通讯】Theoretical investigation of the electronic structure and photophysical properties of a series of mixed‑carbene cyclometalated iridium(III) complexes with diferent ancillary ligands applied in phosphorescent organic light‑emitting diodes Next One:(SCI)DFT/TDDFT study on the electronic structures and optoelectronic properties of a series of iridium(III) complexes based on quinoline derivatives in OLEDs