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Luminescent phosphine copper(<scp>i</scp>) complexes with various functionalized bipyridine ligands: synthesis, structures, photophysics and computational study
- Source :
- New Journal of Chemistry. 44:13393-13400
- Publication Year :
- 2020
- Publisher :
- Royal Society of Chemistry (RSC), 2020.
-
Abstract
- 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).
- Subjects :
- 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
Subjects
Details
- ISSN :
- 13699261 and 11440546
- Volume :
- 44
- Database :
- OpenAIRE
- Journal :
- New Journal of Chemistry
- Accession number :
- edsair.doi...........9e0a6b139aaed8e1b494aa06db9b1e5d