Ligand Design and Preparation, Photophysical Properties, and Device Performance of an Encapsulated-Type Pseudo -Tris(heteroleptic) Iridium(III) Emitter.

The organic molecule 2-(1-phenyl-1-(pyridin-2-yl)ethyl)-6-(3-(1-phenyl-1-(pyridin-2-yl)ethyl)phenyl)pyridine ( H 3 L ) has been designed, prepared, and employed to synthesize the encapsulated-type pseudo -tris(heteroleptic) iridium(III) derivative Ir(κ 6 - fac-C,C',C″-fac-N,N ' ,N″- L). Its formation takes place as a result of the coordination of the heterocycles to the iridium center and the ortho -CH bond activation of the phenyl groups. Dimer [Ir(μ-Cl)(η 4 -COD)] 2 is suitable for the preparation of this compound of class [Ir(9h)] (9h = 9-electron donor hexadentate ligand), but Ir(acac) 3 is a more appropriate starting material. Reactions were carried out in 1-phenylethanol. In contrast to the latter, 2-ethoxyethanol promotes the metal carbonylation, inhibiting the full coordination of H 3 L . Complex Ir(κ 6 - fac-C,C',C″-fac-N,N ' ,N″- L) is a phosphorescent emitter upon photoexcitation, which has been employed to fabricate four yellow emitting devices with 1931 CIE (x:y) ∼ (0.52:0.48) and a maximum wavelength at 576 nm. These devices display luminous efficacies, external quantum efficiencies, and power efficacies at 600 cd m -2 , which lie in the ranges 21.4-31.3 cd A -1 , 7.8-11.3%, and 10.2-14.1 lm W 1- , respectively, depending on the device configuration.