Zn(4,4'-oxydibenzoic acid)(H2O) | 783325-15-5

• 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: Zn(4,4'-oxydibenzoic acid)(H2O)
• 英文别名: Zn(4,4'-oxydibenzoic acid)(H₂O)；Zn(oba)(H₂O)；[Zn(4,4'-oxybis(benzoic acid)-2H)(H2O)]n；[Zn(4,4'-oxybis(benzoate))(H2O)]；[Zn(oba)(H2O)]n
• CAS: 783325-15-5
• 化学式: C₁₄H₈O₅*H₂O*Zn
• 分子量: 339.62
• InChiKey: GLYFIZIFKBRJGQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.62
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  120.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Zn(4,4'-oxydibenzoic acid)(H2O) 、 N,N-二甲基甲酰胺 以 N,N-二甲基甲酰胺 为溶剂， 生成 [Zn2(4,4'-oxybis(benzoate))2(dmf)2]*2DMF
  参考文献：
  名称：

  Dynamic Coordination Polymers with 4,4‘-Oxybis(benzoate):  Reversible Transformations of Nano- and Nonporous Coordination Frameworks Responding to Present Solvents

  摘要：

  Reversible construction of a nanoporous framework from a nonporous framework has been found in the zinc(II) coordination polymer with 4,4'-oxybis(benzoate) (oba). [Zn-2(oba)(2)(dmf)(2)](.)2DMF (1), which has 1 nm scale channels, transforms to the nonporous coordination polymer [Zn(oba)(H2O)] (2) with the loss of the open framework. Compound 2 on treatment with DMF reversibly yields nanoporous compound 1.

  DOI：

  10.1021/ic0496166
• 作为产物：
  描述：

  [Zn2(4,4'-oxybis(benzoate))2(dmf)2]*2DMF 、 水 以 not given 为溶剂， 生成 Zn(4,4'-oxydibenzoic acid)(H2O)
  参考文献：
  名称：

  Dynamic Coordination Polymers with 4,4‘-Oxybis(benzoate):  Reversible Transformations of Nano- and Nonporous Coordination Frameworks Responding to Present Solvents

  摘要：

  Reversible construction of a nanoporous framework from a nonporous framework has been found in the zinc(II) coordination polymer with 4,4'-oxybis(benzoate) (oba). [Zn-2(oba)(2)(dmf)(2)](.)2DMF (1), which has 1 nm scale channels, transforms to the nonporous coordination polymer [Zn(oba)(H2O)] (2) with the loss of the open framework. Compound 2 on treatment with DMF reversibly yields nanoporous compound 1.

  DOI：

  10.1021/ic0496166

文献信息

• A 3D chiral Zn(ii) coordination polymer with triple Zn–oba–Zn helical chains (oba = 4,4′-oxybis(benzoate))
  作者：Yi Ma、Zhengbo Han、Yongke He、Liguo Yang

  DOI：10.1039/b708479j

  日期：——

  The solvothermal reaction of Zn(II) and 4,4′-oxybis(benzoic acid) in the presence of anhydrous ethanol leads to the generation of a novel 3D chiral coordination polymer with triple helical chains; the resulting crystals were not a racemic mixture but had an enantiomeric excess, which was confirmed by measuring the optical rotation of bulk samples using solid state vibrational circular dichroism (VCD).

  Zn(II) 和 4,4-氧双（苯甲酸）在无水乙醇存在下发生溶剂热反应，生成具有三螺旋链的新型 3D 手性配位聚合物；所得晶体不是外消旋混合物，而是对映体过量，这一点通过使用固态振动圆二色性（VCD）测量块状样品的旋光度来证实。
• Different dimensional coordination polymers with 4,4׳-oxybis(benzoate): Syntheses, structures and properties
  作者：Huijie Lun、Yamin Li、Xudong Zhang、Jing-He Yang、Changyu Xiao、Yanqing Xu、Junrui Li

  DOI：10.1016/j.jssc.2014.04.016

  日期：2014.7

  Five transition-metal coordination polymers, namely, [Zn7Cl6(oba)(4)](n) (1), [Cd7Cl6(oba)(4)](n) (2), [Zn(oba) (H2O)(n) (3), [Ag-2(oba)](n) (4) and [Co(oba)(H2O)(2)](n) (5) (H(2)oba=4,4'-oxydibenzoic acid), have been achieved under hydrothermal conditions and structurally characterized by IR, elemental analyses, X-ray single-crystal diffraction and TGA. The X-ray single-crystal diffraction reveals that compounds 1 and 2 are isomorphism, featuring pillared-layer 3D motifs, in which the 2D inorganic layers (Zn6Cl7)(n) (or (Cd6Cl7)(n)) are connected by oba(2-) pillars. Compound 3 exhibits 1D stair-like chain and extends to a 3D network by two different interchain O-H-O hydrogen bonding interactions while compound 4 features wave chains and stretches to 2D layer by interchain Ag-O weak contacts. Compound 5 shows 2D network in which Co-chains are pillared by oba(2-) ligand and then forms a 3D network by four different O-H-O hydrogen bonding interactions. Furthermore, 1-4 exhibit luminescent properties at a solid state and 5 shows antiferromagnetic behavior. (C) 2014 Elsevier Inc. All rights reserved.