NDLI: Study on a set of bis-cyclometalated Ir(III) complexes with a common ancillary ligand

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Lee, Tae-woo Kwon, Ohyun Das, Rupasree Ragini Lyu, Yi-yeol Jeon, Woo Sung Chang, Seok Kim, Heekyung Lee, Ha-jin Han, Eunsil Byun, Younghun Kim, Myeongsuk
Description	Author Affiliation: Byun Y ( Samsung Advanced Institute of Technology, P. O. Box 111, Suwon, 440-600, Korea.)
Abstract	Bis-cyclometalated iridium(III) complexes $[Ir(F_{2}ppy)_{2}ZN]$ (FZN), $[Ir(F_{2}CNppy)_{2}ZN]$ (FCZN), $[Ir(DMAF_{2}ppy)_{2}ZN]$ (FDZN) and $[Ir(MeOF_{2}ppy)_{2}ZN]$ (MeOFZN) $(F_{2}ppy$ = 4′,6′-difluoro-2-phenylpyridinate, $F_{2}CNppy$ = 5′-cyano-4′,6′-difluoro-2-phenylpyridinate, $DMAF_{2}ppy$ = 4′,6′-difluoro-4-dimethylamino-2-phenylpyridinate, $MeOF_{2}ppy$ = 4′,6′-difluoro-4-methyl-2-phenylpyridinate and ZN = 3,5-dimethylpyrazole- N-carboxamide ) emitting in the sky blue region were synthesized. We studied the effect of the ancillary ligand ZN and the substituents on the cyclometalating ligands on the crystal structures, photophysical and electrochemical properties and the frontier orbitals. Density functional theory (DFT) calculation results indicate that in FCZN and FDZN the cyclometalating ligands show negligible participation in the HOMO, the ancillary ligand ZN being the main participant along with the Ir(III) d-orbitals. MeOFZN exhibits the maximum photoluminescence quantum efficiency and radiative emission rates along with the dominant low frequency metal– ligand vibrations and maximum reorganization energy in the excited state. All the substituted complexes show more polar characteristics than FZN, FCZN possessing the highest dipole moment among the complexes. The performances of the solution-synthesised organic light emitting devices (OLEDs) of FZN, FCZN and FDZN doped in a blend of mCP (m-bis(N-carbazolylbenzene)) and polystyrene are studied.
ISSN	14779226
Issue Number	35
e-ISSN	13645447
Journal	Dalton Trans.
Language	English
Publisher	Royal Society of Chemistry
Publisher Date	2008-09-21
Publisher Place	Great Britain (UK)
Access Restriction	Subscribed
Subject Keyword	Iridium Chemistry Organometallic Compounds Crystallography, X-Ray Electrochemistry Electron Transport Electrons Ligands Luminescence Models, Molecular Molecular Conformation Polystyrenes Pyridines Quantum Theory Temperature Journal Article
Content Type	Text
Resource Type	Article
Subject	Inorganic Chemistry

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