ethane-1,2-diaminium oxonium hexafluoroaluminate(III) | 215360-29-5

• 英文名称: ethane-1,2-diaminium oxonium hexafluoroaluminate(III)
• CAS: 215360-29-5
• 化学式: AlF₆*C₂H₁₀N₂*H₃O
• 分子量: 222.11
• InChiKey: YUZDUJNNPFXUFD-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  ethane-1,2-diaminium oxonium hexafluoroaluminate(III) 、 水 以 水 为溶剂， 生成 ethylene diammonium aluminium fluoride
  参考文献：
  名称：

  Strukturen und thermische Zersetzung von enH2(H3O)[AlF6] und enH2[AlF5(H2O)]

  摘要：

  By precipitation with ethylene diamine (en) from a hydrofluoric acid solution of aluminium enH(2)(H3O)[AlF6] is formed. It crystallizes in the orthorhombic space group Pnma, a = 1084.9(1), b = 1079.4(1), c = 682.0(1) pm, R = 0.032. H3O+ cations and [AlF6](3-) anions are connected via strong H bonds to layers which are further linked to a 3 D network by H bonds from the enH(2)(2+) cations. By recrystallization from water or precipitation from a less acid solution enH(2)[AlF5(H2O)] is formed, which crystallizes monoclinic in the space group P2(1) (a = 660.0(1), b = 563.5(1), c = 994.4(2) pm, beta = 98.44(3)degrees, R = 0.029). The [AlF5(H2O)](2-) anions are linked by strong O-H ... F bonding to form 'einer-double chains' interconnected again via the enH(2)(2+) cations to a 3 D framework. Thermoanalytical investigations show that enH(2)[AlF5(H2O)], by loss of water above 150 degrees C, as well as enH(2)(H3O)[AlF6], by loss of water and if above 120 degrees C, transform to enH(2)AlF(5). The subsequent decomposition goes over NH4+ containing intermediates towards beta-AlF3. Before decomposition the oxonium fluoroaluminate reveals a reversible phase transition at 99 degrees C.

  DOI：

  10.1002/(sici)1521-3749(199809)624:9<1465::aid-zaac1465>3.0.co;2-w
• 作为产物：
  描述：

  氢氟酸 、 乙二胺 、 氢化铝 以 水 为溶剂， 生成 ethane-1,2-diaminium oxonium hexafluoroaluminate(III)
  参考文献：
  名称：

  Strukturen und thermische Zersetzung von enH2(H3O)[AlF6] und enH2[AlF5(H2O)]

  摘要：

  By precipitation with ethylene diamine (en) from a hydrofluoric acid solution of aluminium enH(2)(H3O)[AlF6] is formed. It crystallizes in the orthorhombic space group Pnma, a = 1084.9(1), b = 1079.4(1), c = 682.0(1) pm, R = 0.032. H3O+ cations and [AlF6](3-) anions are connected via strong H bonds to layers which are further linked to a 3 D network by H bonds from the enH(2)(2+) cations. By recrystallization from water or precipitation from a less acid solution enH(2)[AlF5(H2O)] is formed, which crystallizes monoclinic in the space group P2(1) (a = 660.0(1), b = 563.5(1), c = 994.4(2) pm, beta = 98.44(3)degrees, R = 0.029). The [AlF5(H2O)](2-) anions are linked by strong O-H ... F bonding to form 'einer-double chains' interconnected again via the enH(2)(2+) cations to a 3 D framework. Thermoanalytical investigations show that enH(2)[AlF5(H2O)], by loss of water above 150 degrees C, as well as enH(2)(H3O)[AlF6], by loss of water and if above 120 degrees C, transform to enH(2)AlF(5). The subsequent decomposition goes over NH4+ containing intermediates towards beta-AlF3. Before decomposition the oxonium fluoroaluminate reveals a reversible phase transition at 99 degrees C.

  DOI：

  10.1002/(sici)1521-3749(199809)624:9<1465::aid-zaac1465>3.0.co;2-w