摘要
A new one-dimensional （l-D） compound [CdBr2（imidazole）], （1） has been synthesized via a hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the Pna21 space group of orthorhombic system with a = 11.299（2）, b = 15.598（3）, c = 3.9293（6） A, V = 692.5（2） A3, CaH4Br2CdN2, Mr = 340.30, Z = 4, Dc = 3.264 g/cm3, S = 1.004, /l（MoKa） = 14.588 mm＂1, F（000） = 616, R = 0.0412 and wR = 0.1286. Compound 1 is characteristic of an infinite 1-D double chain structure with the cadmium atoms locating at an octahedral environment. The double chains interconnect together via hydrogen bonding interactions to yield a 3-D supramolecular framework. Fluorescent investigation reveals that the title compound displays an emission in the purple region. Theoretical investigation reveals that the emission is mainly ascribed to ligand-to-metal charge transfer （LMCT）, accompanied with minor ligand-to-ligand charge transfer （LLCT）.
A new one-dimensional （l-D） compound [CdBr2（imidazole）], （1） has been synthesized via a hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the Pna21 space group of orthorhombic system with a = 11.299（2）, b = 15.598（3）, c = 3.9293（6） A, V = 692.5（2） A3, CaH4Br2CdN2, Mr = 340.30, Z = 4, Dc = 3.264 g/cm3, S = 1.004, /l（MoKa） = 14.588 mm＂1, F（000） = 616, R = 0.0412 and wR = 0.1286. Compound 1 is characteristic of an infinite 1-D double chain structure with the cadmium atoms locating at an octahedral environment. The double chains interconnect together via hydrogen bonding interactions to yield a 3-D supramolecular framework. Fluorescent investigation reveals that the title compound displays an emission in the purple region. Theoretical investigation reveals that the emission is mainly ascribed to ligand-to-metal charge transfer （LMCT）, accompanied with minor ligand-to-ligand charge transfer （LLCT）.
基金
Financially supported by the NSF of Jiangxi Province (2008GQH0001)
