In situ preparation, structure, fluorescence and theoretical study of a cadmium-bipyridinium compound.

One cadmium-bipyridinium compound, (CdCl4)(CH3-4,4′-Hbipy-CH2CH3)2 (1) with the CH3-4,4′-Hbipy-CH2CH3 generated in situ, has been synthesized from a solvothermal reaction and structurally characterized by a single-crystal X-ray diffraction. The title compound is characterized by an isolated structure and the cadmium atom is coordinated by four chlorine atoms. The CH3-4,4′-Hbipy-CH2CH3+ cation and CdCl42− anion interconnect together through hydrogen-bonding interactions to yield a three-dimensional supramolecular network. Fluorescence spectra exhibit a wide and strong emission in the blue region. Theoretical calculations reveal that this emission can be ascribable to the ligand-to-ligand charge transfer (LLCT). [ABSTRACT FROM AUTHOR]