000165896 001__ 165896
000165896 005__ 20260115140312.0
000165896 0247_ $$2doi$$a10.1021/acs.inorgchem.5c04705
000165896 0248_ $$2sideral$$a147426
000165896 037__ $$aART-2026-147426
000165896 041__ $$aeng
000165896 100__ $$aMartín-Escura, Cristina
000165896 245__ $$aAddition of Amine-Substituted Heteroaromatic Rings to Alkynyl Bridging Ligands to Generate Phosphorescent Emitters Incorporating Iridaimidazoles with Fused Heterocyclic Rings
000165896 260__ $$c2026
000165896 5060_ $$aAccess copy available to the general public$$fUnrestricted
000165896 5203_ $$aAlkynyl ligands are versatile building blocks in the design of luminescent iridium(III) complexes due to their ability to support postcoordination functionalization that gives rise to ligands non available through conventional coordination chemistry. Here, we report the synthesis and characterization of a new family of heteroleptic iridium(III) green emitters based on cyclometalated 2-p-tolylpyridine as main ligands and new C,N-chelating units as the auxiliary ligand that yield iridaimidazole structures. The alkynyl bridging dimer cis-[Ir(μ-C≡CtBu){κ2-C,N-(MeC6H3-py)}2]2 (1) reacts with amine-substituted five-membered heterocycles bearing two heteroatoms, such as 1-methyl-1H-imidazol-2-amine, 1-methyl-1H-benzo[d]imidazol-2-amine, 4-methyloxazol-2-amine, benzo[d]oxazol-2-amine, 4-methylthiazol-2-amine, and benzo[d]thiazol-2-amine, giving the iridaimidazole derivatives Ir{κ2-C,N-(MeC6H3-py)}2{κ2-C,N-[C(CH2tBu)N-im]} (im = imidazole, 2), Ir{κ2-C,N-(MeC6H3-py)}2{κ2-C,N-[C(CH2tBu)N-bzim]} (bzim = benzimidazole, 3), Ir{κ2-C,N-(MeC6H3-py)}2{κ2-C,N-[C(CH2tBu)N-oxazol]} (4), Ir{κ2-C,N-(MeC6H3-py)}2{κ2-C,N-[C(CH2tBu)N-bzoxazol]} (5), Ir{κ2-C,N-(MeC6H3-py)}2{κ2-C,N-[C(CH2tBu)N-thiazol]} (6), and Ir{κ2-C,N-(MeC6H3-py)}2{κ2-C,N-[C(CH2tBu)N-bzthiazol]} (7), respectively. The iridium center in these complexes is in an octahedral environment with nitrogen and carbon atoms in a facial disposition. Complexes 2, 4, and 6 feature one five-membered heteroaromatic ring fused to the iridaimidazole cycle whereas 3, 5, and 7 additionally contain a benzo group fused to the organic heterocycle. All complexes are green phosphorescent emitters (474–558 nm) upon photoexcitation, with high quantum yields (0.55–0.92) in poly(methyl methacrylate) films and 2-MeTHF at 298 K.
000165896 536__ $$9info:eu-repo/grantAgreement/ES/AEI/PID2023-146967NB-I00$$9info:eu-repo/grantAgreement/ES/DGA/E06-23R
000165896 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttps://creativecommons.org/licenses/by/4.0/deed.es
000165896 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000165896 700__ $$0(orcid)0000-0003-2094-719X$$aOñate, Enrique
000165896 700__ $$0(orcid)0000-0003-0381-0917$$aOliván, Montserrat
000165896 700__ $$0(orcid)0000-0001-7183-4975$$aLópez, Ana M.$$uUniversidad de Zaragoza
000165896 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica
000165896 773__ $$g65, 1 (2026), 582-592$$pInorg. chem.$$tInorganic Chemistry$$x0020-1669
000165896 8564_ $$s3850456$$uhttps://zaguan.unizar.es/record/165896/files/texto_completo.pdf$$yVersión publicada
000165896 8564_ $$s3120917$$uhttps://zaguan.unizar.es/record/165896/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000165896 909CO $$ooai:zaguan.unizar.es:165896$$particulos$$pdriver
000165896 951__ $$a2026-01-15-12:37:29
000165896 980__ $$aARTICLE