potassium dihydrogenphosphate-hydrogen fluoride adduct | 351194-08-6

• 英文名称: potassium dihydrogenphosphate-hydrogen fluoride adduct
• 英文别名: Potassium;dihydrogen phosphate;hydrofluoride
• CAS: 351194-08-6
• 化学式: FH*H₂O₄P*K
• 分子量: 156.092
• InChiKey: HEAFNBIOTNKFMJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.4
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  potassium dihydrogenphosphate-hydrogen fluoride adduct 以 neat (no solvent) 为溶剂， 生成 氢氟酸 、 水 、 monofluorophosphate 、 difluorophosphate
  参考文献：
  名称：

  Kristallstrukturen und thermisches Verhalten von Metalldihydrogenphosphat-HF-Addukten MH2PO4 · HF (M = K, Rb, Cs) mit Wasserstoffbrückenbindungen vom Typ FH…O

  摘要：

  澳大利亚。Flussauren Losungen von MH2PO4 (M = K, Rb, Cs) wurden drei HF-Addukte der Zusammensetzung MH2PO4 · HF isoliert。KH2PO4·HF kristallisiert monoklin：P21/c, a = 6,459(2), b = 7,572(2), c = 9,457(3) A, β = 101,35(3)°, V = 453,5(3) A3, Z = 4. RbH2PO4 · HF ist orthorhombisch: Pna21, a = 9,055(3), b = 4,635(2), c = 11,908(4) A, V = 499,8(3) A3, Z = 4, sowie das ebenfalls orthorhombische CsH2PO4 · HF,:

  DOI：

  10.1002/1521-3749(200107)627:7<1687::aid-zaac1687>3.0.co;2-8
• 作为产物：
  描述：

  potassium dihydrogenphosphate 、 氢氟酸 以 氢氟酸 为溶剂， 以97%的产率得到potassium dihydrogenphosphate-hydrogen fluoride adduct
  参考文献：
  名称：

  Kristallstrukturen und thermisches Verhalten von Metalldihydrogenphosphat-HF-Addukten MH2PO4 · HF (M = K, Rb, Cs) mit Wasserstoffbrückenbindungen vom Typ FH…O

  摘要：

  澳大利亚。Flussauren Losungen von MH2PO4 (M = K, Rb, Cs) wurden drei HF-Addukte der Zusammensetzung MH2PO4 · HF isoliert。KH2PO4·HF kristallisiert monoklin：P21/c, a = 6,459(2), b = 7,572(2), c = 9,457(3) A, β = 101,35(3)°, V = 453,5(3) A3, Z = 4. RbH2PO4 · HF ist orthorhombisch: Pna21, a = 9,055(3), b = 4,635(2), c = 11,908(4) A, V = 499,8(3) A3, Z = 4, sowie das ebenfalls orthorhombische CsH2PO4 · HF,:

  DOI：

  10.1002/1521-3749(200107)627:7<1687::aid-zaac1687>3.0.co;2-8

文献信息

• Weinland; Kappeler, Liebigs Annalen der Chemie, 1901, vol. 315, p. 357 - 357
  作者：Weinland、Kappeler

  DOI：——

  日期：——
• Weinland; Stille, Liebigs Annalen der Chemie, 1903, vol. 328, p. 132 - 149
  作者：Weinland、Stille

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: MVol., 27, page 58 - 59
  作者：

  DOI：——

  日期：——
• Two modifications of a KH₂PO₄·HF adduct
  作者：Radmila Krupková、Jan Fábry、Přemysl Vaněk、Ivana Císařová

  DOI：10.1107/s0108270103012654

  日期：2003.8.15

  The structures of two modifications, (I) and (II), of potassium dihydrogenphosphate-hydrofluoric acid (1/1), KH2PO4.HF, were determined at 250 and 150 K, and at 292 and 150 K, respectively. Modifications (I) and (II) crystallize from stoichiometric aqueous solutions at 295 (1) and 308 (3) K, respectively. The H atoms were located clearly from the difference Fourier maps in each modification. The two modifications differ mainly in the arrangement of the dihydrogenphosphate anions, i.e. (I) contains looped dimeric and tetrameric units of the dihydrogenphosphate ions, whereas (II) contains two types of looped tetrameric unit. In addition, both structures contain a very short F - H ... O hydrogen bond (2.38-2.40 Angstrom). The K+ ions are coordinated by O and F atoms, with similar K ... O and K ... F distances in both modifications.