Sun, YinghuiLemaur, VincentBeltrán Fínez, Juan IgnacioCornil, JérômeHuang, JianwenZhu, JuntongWang, YunFröhlich, RolandWang, HaiboJiang, LinZou, Guifu2024-01-152024-01-152016Sun, Y., Lemaur, V., Beltran, J. I., Cornil, J., Huang, J., Zhu, J., ... & Zou, G. (2016). Neutral mononuclear copper (I) complexes: Synthesis, crystal structures, and photophysical properties. Inorganic Chemistry, 55(12), 5845-5852.0020-166910.1021/acs.inorgchem.6b00101https://hdl.handle.net/20.500.14352/93064Neutral green-emitting four-coordinate Cu(I) complexes with general formula POPCu(NN), where POP = bis[2-(diphenylphosphino)phenyl]ether and NN = substituted 2-pyridine-1,2,4-triazole ligands, were synthesized. The crystal structures of (POPCuMeCN)+(PF6)− (1), POPCuPhPtp (2a, PhPtp = 2-(5-phenyl-2H-[1,2,4]triazol-3-yl)-pyridine), and POPCu(3,5-2FPhPtp) (2d, 3,5-2FPhPtp = 2-(5-(3,5-difluorophenyl)-2H-1,2,4-triazol-3-yl)pyridine) were determined by single-crystal X-ray diffraction analysis. The electronic and photophysical properties of the complexes were examined by UV–vis, steady-state, and time-resolved spectroscopy. At room temperature, weak emission was observed in solution, while in the solid state, all complexes exhibit intense green emission with quantum yield up to 0.54. The electronic and photophysical properties were further supported by calculation performed at the (time-dependent) density functional theory level. One of the complexes was also tested as dopant in electroluminescent devices.engjournal article1520-510Xhttps://doi.org/10.1021/acs.inorgchem.6b00101restricted access53Light-Emitting-DiodesActivated DelayedCu-I ComplexesFluorescence EfficientCuprous ComplexesDinuclear Cu(I) ComplexesSensitized Solar-CellsElectrochemical-CellsCoordination-CompoundsEmission ColorP LigandsFísica (Física)22 Física