deuterated potassium amide | 12159-22-7

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 碱金属有机物
• 英文名称: deuterated potassium amide
• 英文别名: Potassium;dideuterioazanide
• CAS: 12159-22-7
• 化学式: H₂N*K
• 分子量: 57.105
• InChiKey: FEMRXDWBWXQOGV-ZSJDYOACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.28
• 重原子数：
  2
• 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：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  重水 、 氢化钾 、 deuterated potassium amide 以 neat (no solvent, gas phase) 为溶剂， 生成 potassium hydroxide
  参考文献：
  名称：

  Mach, B.; Jacobs, H.; Schaefer, W., Zeitschrift fur Anorganische und Allgemeine Chemie

  摘要：

  DOI：
• 作为产物：
  描述：

  氢化钾 、 氨-d3 以 neat (no solvent) 为溶剂， 生成 deuterated potassium amide
  参考文献：
  名称：

  Orientational order and rotational dynamics of the amide ions in potassium amide. I. Neutron diffraction

  摘要：

  Potassium amide (KNH2/KND2) is an ionic molecular crystal. The amide ions (NH2−/ND2−)—isoelectronic with the water molecule OH2—display orientational disorder in the cubic and tetragonal high–temperature phases. In the monoclinic low–temperature phase they are orientationally ordered. We investigated the deuterated compound KND2 in all three phases using high resolution neutron powder diffraction and determined the time–averaged probability density function of the deuterons in detail. The structure of the intermediate tetragonal phase was solved, and deviations of the reorientations of the amide ions in the cubic phase from free rotational diffusion were quantified. From the structural properties of the different phases of KND2 and the structural changes at the phase transitions conclusions on the respective dynamics of the amide ions can be drawn.

  DOI：

  10.1063/1.475052
• 作为试剂：
  描述：

  菲 在 deuterated potassium amide 、 氨-d3 作用下， 生成 菲-d10
  参考文献：
  名称：

  Broude et al., Optika i Spektroskopiya, 1958, vol. 5, p. 113

  摘要：

  DOI：

文献信息

• Mach, B.; Jacobs, H.; Schaefer, W., Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Mach, B.、Jacobs, H.、Schaefer, W.

  DOI：——

  日期：——
• Orientational order and rotational dynamics of the amide ions in potassium amide. I. Neutron diffraction
  作者：M. Müller、J. Senker、B. Asmussen、W. Press、H. Jacobs、W. Kockelmann、H. M. Mayer、R. M. Ibberson

  DOI：10.1063/1.475052

  日期：1997.8.15

  Potassium amide (KNH2/KND2) is an ionic molecular crystal. The amide ions (NH2−/ND2−)—isoelectronic with the water molecule OH2—display orientational disorder in the cubic and tetragonal high–temperature phases. In the monoclinic low–temperature phase they are orientationally ordered. We investigated the deuterated compound KND2 in all three phases using high resolution neutron powder diffraction and determined the time–averaged probability density function of the deuterons in detail. The structure of the intermediate tetragonal phase was solved, and deviations of the reorientations of the amide ions in the cubic phase from free rotational diffusion were quantified. From the structural properties of the different phases of KND2 and the structural changes at the phase transitions conclusions on the respective dynamics of the amide ions can be drawn.