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

• Published in: Zeitschrift für Kristallographie. Crystalline materials Vol. 230; no. 2; pp. 139 - 143
• Main Authors: Yao, Zhong-Liang, Chen, Wen-Tong, Hu, Rong-Hua
• Format: Journal Article
• Language: English
• Published: De Gruyter 01.02.2015
• Subjects: crystal; dumbbell; LLCT; luminescence; zinc
• ISSN: 2194-4946; 2196-7105
• DOI: 10.1515/zkri-2014-1798

A novel zinc compound with mixed ligands, Zn (bipy)(bim) ·(ClO ·2H O ( ) (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 is characteristic of an isolated structure with two five-coordinated zinc ions bridged by a bipy ligand to form a dumbbell-like motif. Compound is of rhombohedral system, space group -3 with = 25.7698(5), = 19.0359(7) Å, = 10947.8(5) Å , C Cl Zn , = 9, = 1257.35, = 1.716 g/cm , = 1.045, (Mo ) = 1.298 mm , (000) = 5742, = 0.0489 and = 0.1337. Photoluminescence investigation reveals that compound 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.