Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants

M'hamedi, Ahmed; Batsanov, Andrei S.

Abstract

The crystal structures of tris­[9,9-dihexyl-2-(5-meth­oxy­pyridin-2-yl-κN)-9H-fluoren-3-yl-κC3]iridium pentane monosolvate, [Ir(C31H38NO)3]·C5H12, (I), di-μ2-chlorido-bis­{bis­[2-(5-fluoro­pyridin-2-yl)-9,9-dihexyl-9H-fluoren-3-yl]iridium} pentane 0.3-solvate, [Ir2(C30H35FN)4Cl2]·0.3C5H12, (II), di-μ2-cyanato-bis­{bis­[9,9-dihexyl-2-(5-meth­oxy­pyridin-2-yl)-9H-fluoren-1-yl]iridium} pentane monosolvate, [Ir2(C31H38NO)4(NCO)2(NCO)2]·C5H12, (III), and {μ-N,N′-bis­[3,5-bis­(tri­fluoro­meth­yl)phen­yl]oxamidato}bis(bis{2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-κ2C1,N′}iridium)–chloro­benzene–pentane (1/2.3/0.4), [Ir2(C20H19N)4(C18H6F12N2O2)]·2.3C6H5Cl·0.4C5H12, (IV), synthesized in the quest for organic light-emitting devices, were determined. The bis-μ2-chloro and bis-μ2-cyanato complexes have ΔΔ and ΛΛ configurations of the distorted octa­hedral Ir centres in racemic crystals, whereas the oxamido complex has a centrosymmetric (meso) structure with the ΔΛ configuration. The bridging oxamido moiety has a nearly planar anti geometry. All structures show substantial disorder of both host mol­ecules and solvents of crystallization.

Citation

M'hamedi, A., & Batsanov, A. S. (2020). Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants. Acta Crystallographica Section E: Crystallographic Communications, 76(3), 392-399. https://doi.org/10.1107/s2056989020001784

• Journal Article Type: Article
• Acceptance Date: Feb 7, 2020
• Online Publication Date: Mar 1, 2020
• Publication Date: Mar 1, 2020
• Deposit Date: Mar 25, 2020
• Publicly Available Date: Mar 25, 2020
• Journal: Acta Crystallographica Section E: Crystallographic Communications
• Electronic ISSN: 2056-9890
• Publisher: International Union of Crystallography
• Peer Reviewed: Peer Reviewed
• Volume: 76
• Issue: 3
• Pages: 392-399
• DOI: https://doi.org/10.1107/s2056989020001784
• Public URL: https://durham-repository.worktribe.com/output/1274172