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A new one-dimensional (1-D) compound [CdBr2(imidazole)]n(1) has been synthesized via a hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the Pna2 1 space group of orthorhombic system with a=11.299(2), b=15.598(3), c=3.9293(6), V=692.5(2)3 , C3H4Br2CdN2, Mr=340.30, Z=4, Dc=3.264 g/cm3, S=1.004, μ(MoKα)=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 (1-D) compound [CdBr2 (imidazole)] n (1) has been synthesized via a hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the Pna2 1 space group of orthorhombic system with a = 11.299 b = 15.598 c = 3.9293 6 V = 692.5 23 C3H4Br2CdN2 Mr = 340.30 Z = 4 Dc = 3.264 g / cm3 , S = 1.004, μ (MoKα) = 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).