[Tl(1,2-ethylenediphosphonate)] | 915068-19-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: [Tl(1,2-ethylenediphosphonate)]
• CAS: 915068-19-8
• 化学式: C₂H₇O₆P₂*Tl
• 分子量: 393.404
• InChiKey: XLZQDRCUJATMIN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.67
• 重原子数：
  11.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  117.89
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [Tl(1,2-ethylenediphosphonate)] 、 氨 以 neat (no solvent, solid phase) 为溶剂， 生成 [Tl(1,2-ethylenediphosphonate)]*NH3
  参考文献：
  名称：

  Synthesis and X‐ray Crystal Structures of the New, Three‐Dimensional Ethylenediphosphonates [A{HO ₃ P(CH ₂ ) ₂ PO ₃ H ₂ }] (A = Alkali Metal, Tl, or NH ₄ ): Solid Brönsted Acids That Exhibit Topotactic Intercalation and Deintercalation of Ammonia

  摘要：

  AbstractSeven new ethylenediphosphonates with the formula [A{HO3P(CH2)2PO3H2}] [A = Li (1), Na (2), K (3), Rb (4), Cs (5), Tl (6), and NH4 (7)], have been synthesized and characterized by single‐crystal X‐ray diffraction, infrared spectroscopy, and thermal studies. They have four types of three‐dimensional structures, with variations in the coordination of the A+ ions. All of them are solid Brönsted acids that undergo room‐temperature, acid–base intercalation reactions with ammonia. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejic.200500730
• 作为产物：
  描述：

  thallium(I) carbonate 、 1,2-乙烯基二膦酸 以 水 为溶剂， 以99%的产率得到[Tl(1,2-ethylenediphosphonate)]
  参考文献：
  名称：

  Synthesis and X‐ray Crystal Structures of the New, Three‐Dimensional Ethylenediphosphonates [A{HO ₃ P(CH ₂ ) ₂ PO ₃ H ₂ }] (A = Alkali Metal, Tl, or NH ₄ ): Solid Brönsted Acids That Exhibit Topotactic Intercalation and Deintercalation of Ammonia

  摘要：

  AbstractSeven new ethylenediphosphonates with the formula [A{HO3P(CH2)2PO3H2}] [A = Li (1), Na (2), K (3), Rb (4), Cs (5), Tl (6), and NH4 (7)], have been synthesized and characterized by single‐crystal X‐ray diffraction, infrared spectroscopy, and thermal studies. They have four types of three‐dimensional structures, with variations in the coordination of the A+ ions. All of them are solid Brönsted acids that undergo room‐temperature, acid–base intercalation reactions with ammonia. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejic.200500730