Abstract
Peculiar coordination compound Cu(Hbpt)(CH3CN)2PF6 (1) derived from 3,5-bis(4-pyridyl)-1H-1,2,4-triazole (Hbpt) is synthesized by the layer diffusion method and structurally characterized by single crystal and powder X-ray diffraction, elemental analysis, and infrared spectroscopy. Compound 1 exhibits a structure formed by cationic [Cu(Hbpt)(CH3CN2]nn+ chains and PF6– anions with abundant supramolecular interactions. Solid-state photoluminescence experiments show that compound 1 exhibits relatively strong red emission with a peak around 656 nm, and the origin of the emission band may be ascribed to the metal-to-ligand charge transfer according to the calculation of the density of states.
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