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Article Abstract

Incorporation of an electron-withdrawing -SOCF substituent to cyclometalating C^N-phenylpyridine (ppy) ligand resulted in an expected blue-shifted phosphorescence in the corresponding homoleptic complex, showing the emission of λ = 464 nm at 300 K. One of its heteroleptic derivatives, modified by a pyrazolyl borate LX ligand, , exhibited further blue-shifted phosphorescence of λ = 460 nm at 300 K. Cyclic voltammograms (CVs) and density-functional theory (DFT) calculations supported the efficacy of the electron-withdrawing capability of the SOCF substituent lowering HOMO energy and obtained widened bandgaps and resumed blue emissions for all of the iridium complexes studied. The homoleptic complexes of both substituents, and , reached the higher quantum yields () of (0.89 and 0.72), respectively. Similarly, emission quantum yields () of the heteroleptic derivatives were reported to be (0.75, 0.83, and 0.87) for , , and , respectively. Emission kinetics support the enhanced quantum efficiency when and values are compared between and , and both values favorably contribute to attaining a higher quantum efficiency for . Among solution-processed multilayered devices having an ITO/PEDOT:PSS/TCTA:Ir dopant (10:1, /)/TmPyPB/Liq/Al structure, a heteroleptic dopant, , exhibited better device performance, reporting an external quantum efficiency (EQE) of 1.14%, current efficiency (CE) of 2.31 cd A, and power efficiency (PE) of 1.21 lm W, together with blue chromaticity of CIE = (0.16, 0.32).

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http://dx.doi.org/10.1021/acs.inorgchem.9b02672DOI Listing

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