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A novel zinc compound with mixed ligands, Zn 2 (bipy)(bim) 4 ·(ClO 4 ) 4 ·2H 2 O ( 1 ) (bipy = 4, 4′-bipyridine; bim = 2, 2′-biimidazole), was hydrothermally prepared and characterized by elemental analysis, IR spectroscopy, photoluminescence and single-crystal X-ray diffraction. Compound  1  is characteristic of an isolated structure with two five-coordinated zinc ions bridged by a bipy ligand to form a dumbbell-like motif. Compound  1  is of rhombohedral system, space group  R -3 with  a  = 25.7698(5),  c  = 19.0359(7) Å,  V  = 10947.8(5) Å 3 , C 34 H 36 Cl 4 N 18 O 18 Zn 2 ,  Z  = 9,  M   r   = 1257.35,  D   c   = 1.716 g/cm 3 ,  S  = 1.045,  μ (Mo Kα ) = 1.298 mm –1 ,  F (000) = 5742,  R  = 0.0489 and  wR  = 0.1337. Photoluminescence investigation reveals that compound  1  displays an emission band in the green region. In combination with the theoretical studies, it is believed that the emission must arise from the ligand-to-ligand charge-transfer (LLCT) transition.

zeitschrift für kristallographie - crystalline materials

Synthesis, structure, properties and computational study of a novel dumbbell-like zinc compound based on 2, 2′-biimidazole and 4, 4′-bipyridine mixed ligands