Luminescent phosphine copper(i ) complexes with various functionalized bipyridine ligands: synthesis, structures, photophysics and computational study
| Autor: | Jing Xiang, Ming-Hua Zeng, Qian-Qian Su, Dong-Po Shi, Xin-Xin Jin, Chi-Fai Leung, Hai-Bing Xu, Li-Juan Luo, Tian Li |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
010405 organic chemistry
Ligand chemistry.chemical_element General Chemistry 010402 general chemistry 01 natural sciences Copper Catalysis Molecular electronic transition 0104 chemical sciences Bipyridine chemistry.chemical_compound Crystallography chemistry Materials Chemistry Density functional theory Phosphorescence Luminescence Phosphine |
| Zdroj: | New Journal of Chemistry. 44:13393-13400 |
| ISSN: | 1369-9261 1144-0546 |
| Popis: | A new series of luminescent phosphine copper(I) complexes with cyano- and hydroxyl-substituted 2,2′-bipyridine ligands [CuI(bpy(CN)2)(P(PhX)3)2](ClO4) [X = H (1); Me (2); Cl (3)], [CuI(bpy(CN)2)(POP)](ClO4) (4), [CuI(bpy(OH)2)(PPh3)2](ClO4) (5) and [CuI(bpy(OH)2)(POP)](ClO4) (6) have been synthesized and characterized. Three of these complexes have been structurally characterized by using X-ray crystallography. The effect of the attaching –CN and –OH groups at the ortho-positions of bpy ligand was investigated. In CH2Cl2 solution, these complexes show yellow to orange phosphorescence, with the emission maxima not only sensitive to the electronic nature of the bipyridine ligands, but also considerably varied with the modification of phosphine ligands. In addition, these complexes show intense tunable green to yellow emissions in their solid state. To elucidate the electronic structures and transitions of these complexes, density functional theory (DFT) calculations on representative examples revealed that the lowest energy electronic transition associated with these complexes predominantly originates from metal-to-ligand charge transfer transitions (MLCT). |
| Databáze: | OpenAIRE |
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