Journal
INORGANICA CHIMICA ACTA
Volume 488, Issue -, Pages 34-40Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ica.2019.01.005
Keywords
Copper (I) complex; Pyridine-imidazole; Metal-to-ligand charge transfer; Density functional theory; Molar extinction coefficient
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Funding
- National Natural Science Foundation of China [21563013]
- Natural Science Foundation of Jiangxi Province [2010GZH0035, 20151BAB203006]
- Guizhou University High Performance Computation Chemistry Laboratory
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A series of the pyridine-imidazole (PyIm) Cu(I) complexes with different substituents (bromide (P1), methyl (P2), and phenyl (P3)) attached on the pyridine ring are synthesized and characterized. All the complexes show the typical metal-to-ligand charge transfer (MLCT) absorption in the visible region. Complex P1 with an electron-withdrawing substituent on the pyridine ring, e.g., a bromine group, shows a red shift of the emission wavelength. Conversely, an electron-donating substituent on the pyridine ring in complex P2, e.g., a methyl group, shifts the emission to longer wavelength. Similarly, complex P3 containing the extended pi-conjugation system of the ligand also exhibits a red shift of the emission wavelength. All of the complexes exhibit efficient green-yellow emission in PMMA films at room temperature with emission wavelength of 547-569 nm and quantum yields of 24.8-53.0%. Meanwhile, DFT and TDDFT methods were employed to explain the photophysical properties.
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