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Structure · dataset · 2026

Phosphorescent Heteroleptic Iridium(III) Complexes with Cyclometalating 1,2,3-Triazol-5-ylidene Mesoionic Carbene Ligands

Listed in ZivaHub and Deakin Research Online — shown once because both records carry DOI 10.1021/acs.inorgchem.6c03863.s001

Five neutral heteroleptic cyclometalated iridium(III) complexes with the chemical formula [Ir(C^N)<sub>2</sub>(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).

Description

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 (<sup>1</sup>H, <sup>13</sup>C{<sup>1</sup>H}, and <sup>19</sup>F), 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.

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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 CF<sub>3</sub> group is introduced to the MIC. PL quantum yields (Φ<sub>PL</sub>) 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.

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Provenance · 2 source records, 19 field assertions
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ZivaHuboai:figshare.com:article/3403119511 d agoJSON v1
Deakin Research Onlineoai:figshare.com:article/3403119511 d agoJSON v1
FieldAssertionExtractorEvidence
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