A copper(I) halide-based compound with a formula of [Cu4I3(DABCO)2]I3 (DABCO = N,N′-dimethyl-1,4-diazabicyclo[2.2.2]octane) has been prepared by solvothermal reactions. This compound has been characterized by single-crystal X-ray diffraction, elemental analysis, IR, TG, XPS and powder X-ray diffractions. Structure analyses reveal that this compound is constructed by unprecedented cationic cluster [Cu8I6]2+ and organic ligand DABCO and the channels of this compound are occupied by I2 and I−. The guest I2 and I− can move freely in and out of the host-framework. UV/vis spectra confirm that the I2 molecules in the channels can release into some organic solvents and IR spectra confirm the I− was exchanged by SCN−. In addition, the luminescent properties of this compound in the solid state have also been investigated.
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