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首页> 外文期刊>International Journal of Quantum Chemistry >A novel copper diphosphonate complex Cu-4(aedp)(2)(4,4 '-bpy)(H2O)(4) with three-dimensional framework structure
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A novel copper diphosphonate complex Cu-4(aedp)(2)(4,4 '-bpy)(H2O)(4) with three-dimensional framework structure

机译:具有三维骨架结构的新型二膦酸铜配合物Cu-4(aedp)(2)(4,4'-bpy)(H2O)(4)

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摘要

A novel copper organodiphosphonate complex containing a second ligand 4,4'-bipyridine (4,4-bpy) based on 1-aminoethylidenediphosphonic acid (H(4)aedp), Cu-4(aedp)(2)(4,4-bpy)(H2O)(4) (1), has been synthesized under hydrothermal conditions. Complex 1 adopts a three-dimensional framework structure assembled from {Cu-4(aedp)(2)(H2O)(4)} layers and 4,4'-bpy bridges. Each {Cu-4(aedp)(2)(H2O)(4)} unit consists of three crystallographically distinct Cu atoms. The Cu(I) atom has a distorted square pyramidal geometry, whereas the Cu(2) and Cu(3) atoms have a distorted elongated tetragonal octahedral geometry. The magnetic studies indicate that complex I show typical antiferromagnetic behaviors at low temperature, which is attributed to the superexchange couplings between Cu(II) centers through mu-O bridge in the phosphonate layers. Crystal data for 1: triclinic, space group P (1) over bar, a = 8.0931(16), b = 13.567(3), c = 6.2185(12)angstrom, alpha = 90.55(3), beta = 96.97(3), gamma = 78.50(3)degrees, V = 664.1(2)angstrom(3), Z = 2. (C) 2005 Elsevier Inc. All rights reserved.
机译:一种新颖的有机二膦酸铜配合物,包含基于1-氨基乙二烯二膦酸(H(4)aedp),Cu-4(aedp)(2)(4,4-)的第二个配体4,4'-联吡啶(4,4-bpy) bpy)(H2O)(4)(1)是在水热条件下合成的。复合体1采用由{Cu-4(aedp)(2)(H2O)(4)}层和4,4'-bpy桥组装而成的三维框架结构。每个{Cu-4(aedp)(2)(H2O)(4)}单元由三个晶体学上不同的Cu原子组成。 Cu(I)原子具有变形的方形金字塔形状,而Cu(2)和Cu(3)原子具有变形的细长四方八面体几何形状。磁性研究表明,复合物I在低温下显示出典型的反铁磁行为,这归因于Cu(II)中心之间通过膦酸酯层中的mu-O桥发生的超交换耦合。 1:斜晶晶的数据,棒上的空间群P(1),a = 8.0931(16),b = 13.567(3),c = 6.2185(12)埃,alpha = 90.55(3),beta = 96.97(3 ),γ= 78.50(3)度,V = 664.1(2)埃(3),Z =2。(C)2005 Elsevier Inc.保留所有权利。

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