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oai:figshare.com:article/34031195 2026-09-30T10:06:32Z category_1 category_4 category_915 category_19 category_21 category_873 category_46 category_64 category_128 portal_63 item_type_6 month_year_09_2026

Phosphorescent Heteroleptic Iridium(III) Complexes with Cyclometalating 1,2,3-Triazol-5-ylidene Mesoionic Carbene Ligands Son N. T. Phan (21512984) William C. Myers (25143080) Pooja S. Kodithuwakku (25143083) Thomas S. Teets (1431757) Biophysics Biochemistry Physical Sciences not elsewhere classified Pharmacology Biotechnology Chemical Sciences not elsewhere classified Immunology Cancer Hematology ylidene mesoionic carbene pl quantum yields pl lifetimes spanning phosphorescent heteroleptic iridium measure redox potentials crystal structures determined nmr (< sup four different cyclometalating 19 </ sup 13 </ sup unsubstituted phenyl substituent 4 -( trifluoromethyl 1 </ sup 2 – 1 2 -( 2 n )< sub c {< sup 3 </ sub cyclometalating 1 h </ namely 1 cyclometalated 1 >- 1 strongly dependent photophysical analysis photoluminescence profiles phenyl ). n ligand minimally perturbed methyl methacrylate f ), cyclic voltammetry compounds indicates chemical formula 9 μs Five neutral heteroleptic cyclometalated iridium(III) complexes with the chemical formula [Ir(C^N)₂(C^C)] are described, where C^C is a cyclometalated 1-aryl-1<i>H</i>-1,2,3-triazol-5-ylidene mesoionic carbene (MIC, aryl = phenyl or 4-(trifluoromethyl)phenyl). The MIC with the unsubstituted phenyl substituent was paired with four different cyclometalating (C^N) ligands, namely 1-phenylisoquinoline, 2-phenylbenzothiazole, 2-phenylpyridine, and 2-(2,4-difluorophenyl)pyridine. The other combination is between the 4-(trifluoromethyl)phenyl MIC and the 2-(2,4-difluorophenyl)pyridine ligand. The five complexes are characterized by NMR (¹H, ¹³C{¹H}, and ¹⁹F), with crystal structures determined for three of them. Cyclic voltammetry was used to measure redox potentials, which vary as a function of the C^N ligand. Photophysical analysis of the compounds indicates that their photoluminescence profiles are strongly dependent on the C^N ligands that are paired with the MIC, minimally perturbed when the CF₃ group is introduced to the MIC. PL quantum yields (Φ_PL) up to 0.85 in poly(methyl methacrylate) films were obtained, with PL lifetimes spanning the range of 1.2–1.9 μs in the same medium. 2026-09-30T00:00:00Z Text Journal contribution 10.1021/acs.inorgchem.6c03863.s001 https://figshare.com/articles/journal_contribution/Phosphorescent_Heteroleptic_Iridium_III_Complexes_with_Cyclometalating_1_2_3-Triazol-5-ylidene_Mesoionic_Carbene_Ligands/34031195 CC BY-NC 4.0