poly(4,4'-biphenyldicarboxylato)(aqua)cadmium(II) | 488834-49-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: poly(4,4'-biphenyldicarboxylato)(aqua)cadmium(II)
• 英文别名: [Cd(bpdc)(H2O)]n
• CAS: 488834-49-7
• 化学式: C₁₄H₈O₄*Cd*H₂O
• 分子量: 370.64
• InChiKey: HGJFJGMMMYOFOE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.75
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  111.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 檀香(SANTALUMALBUM)提取物 以 N,N-二甲基甲酰胺 为溶剂， 以61%的产率得到poly(4,4'-biphenyldicarboxylato)(aqua)cadmium(II)
  参考文献：
  名称：

  由三金属簇和二羧酸双位链构成的两个二维 36 镶嵌金属有机框架

  摘要：

  两种金属有机骨架化合物，[Zn{sub 3}(1,4-BDC){sub 3}(Py){sub 2}].2(1,4-二恶烷) (MOF-CJ6) 和 [Cd{ sub 3}(bpdc){sub 3}(H{sub 2}O){sub 2}] (MOF-CJ7)，已通过溶剂热合成并通过单晶 X 射线衍射、X 射线粉末衍射、ICP 表征, IR 和光致发光光谱分析，分别。MOF-CJ6 在单斜晶系中结晶，空间群 P2(1)/n (no. 14)，a = 14.6886(14) A, b = 9.6194(6) A, c = 15.9161(16) A 和 {beta} = 105.687 (6){sup o}。其框架可以描述为基于三聚体 Zn{sub 3}(CO{sub 2}){sub 6} 簇和 1,4-苯二羧酸盐双位链的组装的二维 3{sup 6} 镶嵌网络。2-D 网络可以通过 {pi}-{pi}

  DOI：

  10.1016/j.materresbull.2006.01.018

文献信息

• Two carboxylic ligands controlled coordination polymers based on Cd II ion
  作者：Ruichao Liu、Jie Liu、Jian Zhang、Xiangzhen Yan、Chunxue Yuan

  DOI：10.1016/j.molstruc.2018.03.036

  日期：2018.7

  Crystal structure analysis indicates that the coordination environment of CdII in these two compounds are completely different that the CdII ion is six coordination number in compound 1 and seven coordination in compound 2. Furthermore, thermal stabilities for 1 and 2 were also discussed in detail.

  摘要 两种新型配位聚合物Cd(BPDC)·H2O}n(1)和Cd(BTC)·2 }n(2) (H2BPDC = 4,4'-联苯二羧酸；H3BTC = 1,3,5-在水热/溶剂热条件下合成了基于不同有机配体和 CdII 离子的苯三羧酸。通过单晶衍射、红外光谱、元素分析和PXRD对化合物进行了表征。晶体结构分析表明，这两种化合物中CdII的配位环境完全不同，CdII离子在化合物1中为6个配位数，在化合物2中为7个配位。此外，还详细讨论了1和2的热稳定性。
• Synthesis and structure of a novel blue luminescent coordination polymer possessing 3D network with mirror symmetry triple-interpenetrated sixteen-membered rings
  作者：Li-Yuan Wang、Rui-Qing Fan、Ping Wang、Yu-Lin Yang

  DOI：10.1016/j.inoche.2012.06.004

  日期：2012.9

  A novel Cd(II) coordination polymer [Cd(bpdc)(H2O)](n) 1 (4,4'-H(2)bpdc = 4,4'-biphenyldicarboxylic acid) with 3-D open frameworks has been hydrothermally synthesized by the reaction between 4,4'-biphenyldicarboxylic acid and Cd(NO3)(2)center dot 4H(2)O. The structure of coordination polymer 1 was characterized by single-crystal X-ray diffraction analysis. IR spectroscopy and element analysis. The result of single-crystal X-ray diffraction analysis reveals that coordination polymer 1 exhibits novel 4-connected net with the point symbol of 4(2) . 8(4)}. Two carboxylate ends of bpdc(2-) ligand link Cd(II) cations into a dinuclear cluster. Mirror symmetry triple-interpenetrated sixteen-membered rings of 12.11 angstrom x 19.16 angstrom form into 3-D open frameworks through connecting to the bpdc(2-) ligands. Coordination polymer 1 and 4,4'-H(2)bpdc both emit blue luminescence in DMSO solution and in the solid state, which can be attributed to ligand-centered pi*-pi transitions. (C) 2012 Elsevier B.V. All rights reserved.