RT Journal Article T1 Neutral mononuclear copper(I) complexes: synthesis, crystal structures, and photophysical properties A1 Sun, Yinghui A1 Lemaur, Vincent A1 Beltrán Fínez, Juan Ignacio A1 Cornil, Jérôme A1 Huang, Jianwen A1 Zhu, Juntong A1 Wang, Yun A1 Fröhlich, Roland A1 Wang, Haibo A1 Jiang, Lin A1 Zou, Guifu AB Neutral 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. PB American Chemical Society SN 0020-1669 YR 2016 FD 2016 LK https://hdl.handle.net/20.500.14352/93064 UL https://hdl.handle.net/20.500.14352/93064 LA eng NO Sun, 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. NO National Basic Research Program of China NO National Natural Science Foundation of China NO Jiangsu Fund for Distinguished Young Scientist NO Jiangsu Specially-Appointed Professor Program NO Priority Academic Program Development of Jiangsu Higher Education Institutions NO Jiangsu Scientist and Technological Innovation Team NO Natural Science Foundation of Jiangsu Province NO China Postdoctoral Science Foundation NO Specialized Research Fund for the Doctoral Program of Higher Education NO Region Wallonne NO European Commission DS Docta Complutense RD 6 abr 2025