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).