A series of blue phosphorescent iridium complexes with thermally activated delayed fluorescence and efficiency roll-off properties.

ABSTRACT: Six iridium complexes were designed and studied using the DFT approach, (ppy)₂Ir(pic) (1), (f₄ppy)₂Ir(pic) (2), (ppy)₂Ir(tmd) (3), (f₄ppy)₂Ir(tmd) (4), (ppy)₂Ir(tpip) (5) and (f₄ppy)₂Ir(tpip) (6). Here ppy denotes phenylpyridine, f₄ppy denotes 2-(2,3,4,5-tetrafluorophenyl) pyridine, pic denotes benzoic acid, tmd denotes 5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one and tpip denotes tetraphenylimido-diphosphinate. The geometries, absorptions, emissions, frontier molecular orbitals, and spin-orbit coupling (SOC) constants of the 6 complexes were evaluated. An intriguing phenomenon was observed during the excitation process of these molecules. It was discovered that, in the ground stat

SUBMITTER: Qin ZK 

PROVIDER: S-EPMC11575189 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature