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Iridium(III) emitters based on 1,4-disubstituted-1H-1,2,3-triazoles as cyclometalating ligand: synthesis, characterization, and electroluminescent devices Fernández-Hernández, Jesús M. Beltrán Fínez, Juan Ignacio Lemaur, Vicent Gálvez-López, María-Dolores Chien, Chen-Han Polo, Federico Orselli, Enrico Fröhlich, Roland Cornil, Jérôme De Cola, Luisa 538.9 Física del estado sólido 2211 Física del Estado Sólido Esta depositada la versión del artículo enviada a la revista A series of blue and blue-green emitters based on neutral bis- and tris-cyclometalated Ir(III) complexes with 1-benzyl-4-(2,6-difluorophenyl)-1H-1,2,3-triazole (dfptrBn) as cyclometalating ligand is reported. The bis-cyclometalated complexes of the type [Ir(dfptrBn)(2)((LX)-X-boolean AND)] with different ancillary ligands, (LX)-X-boolean AND = picolinate (pic) (2) or 2-(5-(perfluorophenyl)-2H-1,2,4-triazol-3-yl)pyridine (pytrF(5)) (3), are described and their photophysical properties compared with the analogous complexes containing the archetypal 2-(2,4-difluorophenyl)-pyridinato (dfppy) as cyclometaled ligand ((CN)-N-boolean AND). Complex 2 exhibits a marked solvatochromic behavior, from 475 nm in toluene to 534 nm in formamide, due to the strong MLCT character of its emissive excited state. Complex 3 displays a true-blue emission, narrower in the visible part than FIrpic. In addition, the homoleptic complex [Ir(dfprBn)(3)] (4) and the heteroleptic compounds with mixed arylpyridine/aryltriazole ligands, [Ir(dfptrBn)(2)((CN)-N-boolean AND)] ((CN)-N-boolean AND = 2-phenylpyridinato (ppy) (5) or dfppy (6)), have been synthesized and fully characterized. The facial (fac) complex fac-4 is emissive at 77 K showing a deep-blue emission, but it is not luminescent in solution at room temperature similarly to their phenylpyrazole counterparts. However, the fac isomers, fac-5 and fac-6, are highly emissive in solution and thin films, reaching emission quantum yields of 76%, with emission colors in the blue to blue-green region. The photophysical properties for all complexes have been rationalized by means of quantum-chemical calculations. In addition, we constructed electroluminescent devices, organic light-emitting diodes (OLEDs) by sublimation of fac-6, and by solution processed polymer-based devices (PLEDs) using complexes fac-5 or fac-6 as dopants. Fundación Séneca Instituto de Salud Carlos III Ministry of Science and Technology, Taiwan Deutscher Akademischer Austausch Dienst Fonds de la Recherche Scientifique (France) Ministerio de Ciencia e Innovación (España) Depto. de Física de Materiales Fac. de Ciencias Físicas TRUE pub 2024-02-01T12:11:24Z 2024-02-01T12:11:24Z 2013 journal article VoR https://hdl.handle.net/20.500.14352/97645 0020-1669 10.1021/ic3018419 eng 2.4617.07 Fernandez-Hernandez, J. M., Beltran, J. I., Lemaur, V., Galvez-Lopez, M. D., Chien, C. H., Polo, F., ... & De Cola, L. (2013). Iridium (III) Emitters Based on 1, 4-Disubstituted-1 H-1, 2, 3-triazoles as Cyclometalating Ligand: Synthesis, Characterization, and Electroluminescent Devices. Inorganic Chemistry, 52(4), 1812-1824. open access application/pdf American Chemical Society