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• W2325134096 startingPage "11689" @default.
• W2325134096 abstract "We report a theoretical study on a series of heteroleptic cyclometalated Ir(III) complexes for OLED application. The geometries, electronic structures, and the lowest-lying singlet absorptions and triplet emissions of [(fppy)2Ir(III)(PPh2Np)] (1), and theoretically designed models [(fppy)2Ir(III)(PH2Np)] (2) and [(fppy)2Ir(III)Np]−(3) were investigated with density functional theory (DFT)-based approaches, where, fppyH = 4-fluorophenyl-pyridine and NpH = naphthalene. The ground and excited states were, respectively, optimized at the M062X/LanL2DZ;6-31G* and CIS/LanL2DZ:6-31G* level of theory within CH2Cl2 solution provided by PCM. The lowest absorptions and emissions were evaluated at M062X/Stuttgart;cc-pVTZ;cc-pVDZ level of theory. Though the lowest absorptions and emissions were all attributed as the ligand-based charge–transfer transition with slight metal-to-ligand charge–transfer transition character, the subtle differences in geometries and electronic structures result in the different quantum yields and versatile emission color. The newly designed molecular 3 is expected to be highly emissive in deep blue region." @default.
• W2325134096 created "2016-06-24" @default.
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• W2325134096 date "2011-09-22" @default.
• W2325134096 modified "2023-10-16" @default.
• W2325134096 title "Efficient Blue-Emitting Ir(III) Complexes with Phosphine Carbanion-Based Ancillary Ligand: A DFT Study" @default.
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• W2325134096 cites W1965596550 @default.
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• W2325134096 cites W1966190694 @default.
• W2325134096 cites W1971974705 @default.
• W2325134096 cites W1973284434 @default.
• W2325134096 cites W1973356578 @default.
• W2325134096 cites W1975603319 @default.
• W2325134096 cites W1975715311 @default.
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• W2325134096 cites W2045359815 @default.
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• W2325134096 doi "https://doi.org/10.1021/jp200878y" @default.
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