(4,4'-bipyridinediium)uranyl(ethylenediphosphonate) | 1437307-62-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (4,4'-bipyridinediium)uranyl(ethylenediphosphonate)
• 英文别名: (H₂bipy)UO₂(EDP-4H)
• CAS: 1437307-62-4
• 化学式: C₂H₄O₆P₂*C₁₀H₁₀N₂*O₂U
• 分子量: 614.228
• InChiKey: HYSBDJUECLXPSC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.44
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  188.8
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  zinc uranyl acetate heptahydrate 、 1,2-乙烯基二膦酸 、 4,4'-联吡啶 以 水 为溶剂， 反应 48.0h， 以50%的产率得到(4,4'-bipyridinediium)uranyl(ethylenediphosphonate)
  参考文献：
  名称：

  Syntheses and Structures of Uranyl Ethylenediphosphonates: From Layers to Elliptical Nanochannels

  摘要：

  A family of uranium diphosphonates have been hydrothermally synthesized through the reaction of ethylenediphosphonic acid (EDP, H4L) and uranyl nitrate/zinc uranyl acetate in the presence of organic templates, such as tetraethyl ammonium (NEt4+), 4,4'-bipyridine (bipy), and 1,10-phenanthroline (phen). The UO22+ in UO2(H2O)(H2L)(EDP-U1) is equatorially five-coordinated by four phosphonate groups and one aqua ligand, forming a pentagonal bipyramid. Each EDP ligand is doubly protonated and chelates three UO22+, resulting in a layered structure. Compounds (NEt4)(2)(UO2)(3)(HL)(2)(H2L)center dot 4H(2)O (EDP-U2) and (H(2)bipy)UO2L (EDP-U3) have the same layered structure in which NEt4+ and protonated bipy fill in the uranyl phosphonate interlayers, respectively, and play a role to balance the negative charges. Different from that in EDP-U1, the UO22+ exists in the form of a UO6 tetragonal bipyramid and is surrounded by four different EDP ligands in EDP-U2 and EDP-U3. (Hphen)(2)(UO2)(2)(H2L)(3) (EDP-U4) features a three-dimensional framework structure with large elliptical channels along the c axis (1.3 x 1.1 nm(2)). Monoprotonated phen molecules fill in these channels and hold together through strong pi center dot center dot center dot pi interactions. All of the four compounds have been characterized by IR and photoluminescent spectroscopy. Their characteristic emissions have been attributed as transition properties of uranyl cations. The ion-exchange study indicates that [Co(en)(3)](3+) could partially replace the protonated phen molecules.

  DOI：

  10.1021/ic400658y