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Crystal Structure of Dimeric Units Cd2(ncpo)2(phen)2(H2O)2 Constructed by Flexible Dicarboxylic Acid with Fluorescent Emission
引用本文:杨利,于伟,张同来,张建国,刘振华,吴瑞风.Crystal Structure of Dimeric Units Cd2(ncpo)2(phen)2(H2O)2 Constructed by Flexible Dicarboxylic Acid with Fluorescent Emission[J].结构化学,2009,28(4):405-408.
作者姓名:杨利  于伟  张同来  张建国  刘振华  吴瑞风
作者单位:YANG Li,ZHANG Tong-Lai,ZHANG Jian-Guo,LIU Zhen-Hua,WU Rui-Feng(State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology, Beijing 100081, China);YU Wei(School of Urban Development and Environmental Engineering,Shanghai Second Polytechnic University, Shanghai 201209, China)  
基金项目:国家自然科学基金,the Excellent Young Scholars Research Fund of Beijing Institute of Technology 
摘    要:A dimeric coordination complex Cd2(ncpo)2(phen)2(H2O)2 was constructed by a flexible dicarboxylic acid, 2-nitro-4-carboxylphenoxyacetic acid. Its crystal structure was determined by X-ray single-crystal diffraction analysis. The crystal is of monoclinic system, space group P21/n with a = 17.2616(3), b = 12.7460(2), c = 18.4041(3) A^°, β= 94.432(1)°, C42H30Cd2N6O16, Mr = 1099.52, V = 4037.09(12)A^°^3 Dc = 1.809 g/cm^3, F(000) = 2192, μ = 1.139 cm^-1 and Z = 4. The final R = 0.0218 and wR = 0.0703 for 8288 observed reflections with I 〉 2σ(I). There are two crystallographically independent but structurally very similar molecules in the unit cell of the title complex. It is noticeable that the ligand ncpo^2- displays a good flexibility, demonstrating different modes from the rigid ligands. The luminescence property has been investigated, which shows photoluminescence at 465, 490 and 574 nm upon excitation at 320 nm in the solid state at room temperature.

关 键 词:晶体结构测定  phen  二聚体  荧光发射  二元酸  X射线单晶衍射  单元  柔性

Crystal Structure of Dimeric Units Cd_2(ncpo)_2(phen)_2(H_2O)_2 Constructed by Flexible Dicarboxylic Acid with Fluorescent Emission
YANG Li,YU Wei,ZHANG Tong-Lai,ZHANG Jian-Guo,LIU Zhen-Hua,WU Rui-Feng.Crystal Structure of Dimeric Units Cd_2(ncpo)_2(phen)_2(H_2O)_2 Constructed by Flexible Dicarboxylic Acid with Fluorescent Emission[J].Chinese Journal of Structural Chemistry,2009,28(4):405-408.
Authors:YANG Li  YU Wei  ZHANG Tong-Lai  ZHANG Jian-Guo  LIU Zhen-Hua  WU Rui-Feng
Institution:1. State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology, Beijing 100081, China
2. School of Urban Development and Environmental Engineering,Shanghai Second Polytechnic University, Shanghai 201209, China
Abstract:A dimeric coordination complex Cd2(ncpo)2(phen)2(H2O)2 was constructed by a flexible dicarboxylic acid, 2-nitro-4-carboxylphenoxyacetic acid. Its crystal structure was determined by X-ray single-crystal diffraction analysis. The crystal is of monoclinic system, space group P21/n with a=17.2616(3), b=12.7460(2), c=18.4041(3)(A),β=94.432(1)°, C42H30Cd2N6O16, Mr =1099.52, V=4037.09(12)(A)3, Dc=1.809 g/cm3, F(000)=2192,μ=1.139 cm-1 and Z=4. The final R=0.0218 and wR=0.0703 for 8288 observed reflections with I>2σ(I). There are two crystallographically independent but structurally very similar molecules in the unit cell of the title complex. It is noticeable that the ligand ncpo2- displays a good flexibility, demonstrating different modes from the rigid ligands. The luminescence property has been investigated, which shows photoluminescence at 465, 490 and 574 nm upon excitation at 320 nm in the solid state at room temperature.
Keywords:cadminm complex  crystal structure  flexible dicarboxylic acid  fluorescence
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