[uranyl(μ3-4,4'-oxybis(benzoato)(H2O)] | 1257414-66-6

• 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: [uranyl(μ3-4,4'-oxybis(benzoato)(H2O)]
• CAS: 1257414-66-6
• 化学式: C₁₄H₈O₅*H₂O*O₂U
• 分子量: 544.257
• InChiKey: RVRUNXRTPMEJSF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.86
• 重原子数：
  23.0
• 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：
  155.13
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  uranyl nirate hexahydrate 、 4,4'-二苯醚二甲酸 在 NaOH 作用下， 以 水 为溶剂， 以60%的产率得到[uranyl(μ3-4,4'-oxybis(benzoato)(H2O)]
  参考文献：
  名称：

  Combination of covalent and hydrogen bonding in the formation of 3D uranyl-carboxylate networks

  摘要：

  Four compounds containing uranyl cation [UO2](2+) have been synthesized hydrothermally by reacting uranyl acetate and uranyl nitrate with various N/O donor ligands. The structure of all compounds was elucidated by single crystal X-ray diffraction study. Compound [(UO2)(6-methylnicotinato)(3)](H3O)center dot 4H(2)O (1) is a discrete complex (0D), that gives rise in the crystal to hydrophilic channels, while [(UO2)(OH)(mu(2)-3-pyridylpropionato)](n) (2) and [(UO2)(H2O)(mu(3)-4,4'-oxybis(benzoato)](n) (3) show the formation of 1D coordination polymers. Moreover, oxalate anions, formed in situ by using 5-methylisophthalic or 2,3-pyrazinedicarboxylic acid as reactant ligands, gave rise to a 2D coordinating network [(UO2)(2)(mu(2)-oxalate)(mu(2)-OH)(2)(H2O)(2)](n)center dot nH(2)O (4). All the complexes expanded their dimensionality to 3D through hydrogen bonds. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.06.043