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《结构化学》 2013年06期
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Synthesis, Structure, Fluorescence and TDDFT Calculations of [CdBr2(imidazole)]_n

陈文通  
【摘要】: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).
【作者单位】Institute
【基金】:Financially supported by the NSF of Jiangxi Province (2008GQH0001)
【分类号】:O641.4

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【参考文献】
中国期刊全文数据库 前2条
1 ;Synthesis and Structural Characterization of a Novel Coordination Polymer [Cd(C_4H_2O_4)(C_3H_4N_2)_3]_n·2nH_2O[J];结构化学;2005年03期
2 陈文通;郭国聪;曾锡瑞;李新发;方小牛;匡汉茂;刘冬生;刘利民;;Synthesis and Crystal Structur of (4,4′-H_2bipy)[CdBr_4]·H_2O[J];结构化学;2007年10期
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