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Abstract
Two novel mercury-bipyridine complexes, (HgX4)nn(4,4'-H2bipy) [X = Br(1) and I(2); bipy = bipyridine], have been synthesized through hydrothermal reactions and characterized by X-ray single crystal diffraction. Both complexes are isostructural and they are crystallized in the space group C2/c of the monoclinic system with four formula units in one cell. Both complexes feature a one-dimensional (1-D) structure with the mercury ion coordinating to six halide ions to form a slightly distorted octahedron. Photoluminescence investigation reveals that complexes 1 and 2 display an emission in the blue and yellow region, respectively. Theoretical calculation discovers that the photoluminescence emissions are dominantly originated from ligand-to-ligand charge transfer (LLCT), accompanied by a bit of ligand-to-metal charge transfer (LMCT).