calcium iron(II) magnesium hydride | 137525-99-6

• 英文名称: calcium iron(II) magnesium hydride
• CAS: 137525-99-6
• 化学式: Ca*FeH₆*Mg
• 分子量: 126.278
• InChiKey: NZHUPNUAHDGLJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.37
• 重原子数：
  3.0
• 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：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  氢气 、 铁粉 、 calcium 、 magnesium 以 neat (no solvent) 为溶剂， 以50%的产率得到calcium iron(II) magnesium hydride
  参考文献：
  名称：

  New ternary and quaternary metal hydrides with K2PtCl6-type structures

  摘要：

  The ternary alkaline earth transition metal hydrides Ca2FeH6, Sr2FeH6, Eu2FeH6, Mg2RuH6, Mg2OsH6 and Ca2OsH6 were synthesized from metal mixtures at 450-500-degrees-C and 70-130 bar H-2 pressure. They crystallize with the f.c.c. K2PtCl6 structure type and contain octahedral [TH6]4- (T = Fe, Ru, Os) hydride complexes with bond distances [T-D] = 1.618(5) angstrom (Ca1.98Mg0.02FeD6), 1.673(4) angstrom (Mg2RuD6), 1.682(2) angstrom (Mg2OsD6) and 1.728(5) angstrom (Ca1.92Mg0.08OsD6) as refined from neutron powder diffraction of magnesium-containing deuterides. In systems containing two alkaline earth elements quaternary hydrides with primitive cubic structures are formed in which the alkaline earth atoms are ordered. Preliminary neutron data on iron-based CaMgFeD6 and nickel-based CaMgNiD4 confirm the presence of octahedral [FeD6]4- and tetrahedral [NiD4]4- complexes respectively.

  DOI：

  10.1016/0022-5088(91)90152-t