cesium hydrogen phosphite | 13569-78-3

• 英文名称: cesium hydrogen phosphite
• 英文别名: cesium phosphite
• CAS: 13569-78-3
• 化学式: Cs*H₂O₃P
• 分子量: 213.893
• InChiKey: BGUBHDAGZNMRAC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.27
• 重原子数：
  5.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.36
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  亚磷酸 、 caesium carbonate 以 水 为溶剂， 以80%的产率得到cesium hydrogen phosphite
  参考文献：
  名称：

  摘要：

  The reaction of Rb, Cs, or TI carbonates with a solution of phosphorous acid gave crystalline acid phosphites RbH2PO3 (1), CsH2PO3 (11), and TlH2P03 (111), The crystal structures of the compounds were studied by a single-crystal X-ray diffraction analysis at 150 K:I, monoclinic system, a = 7.530(2) Angstrom, b = 8.634(2) Angstrom, c = 12.426(2) Angstrom, beta = 102.46(3)degrees, V = 788.8(3) Angstrom (3), Z = 8, space group P2(1)/c, R-1 = 0.0409; II, monoclinic system, a = 7.930(2) Angstrom, b = 8.929(2) Angstrom, c = 13.163(3) Angstrom, beta = 104.84(3)degrees, V = 900.9(4) Angstrom (3), Z = 8, space group P2(1)/c, R-1 = 0.0239; III, orthorhombic system, a = 6.603(1) Angstrom, b = 6.785(1) Angstrom, c = 8.836(2) Angstrom, V = 395.9(1) Angstrom (3), Z = 4, space group Pna2(1), R-1 = 0.0350. The PHO3 tretrahedra in structures I-III are joined via hydrogen bonds into infinite zigzag-like chains [HPHO3](n)(n-), which form layers alternating with layers of metal cations. The layers of anionic chains are wavelike in I and II and planar in III. Apparently, III is not isostructural to I or II due to the fact that Tl (I) has a stereochemically active pair of electrons,

  DOI：

  10.1023/a:1011377229855