Aluminium--cerium (4/1) | 12004-90-9

• 英文名称: Aluminium--cerium (4/1)
• 英文别名: alumane;cerium
• CAS: 12004-90-9
• 化学式: Al₄Ce
• 分子量: 248.046
• InChiKey: SOVDLDRVCHOZDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.74
• 重原子数：
  5
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Aluminium--cerium (4/1) 以 硫酸 为溶剂， 生成 二氧化硫
  参考文献：
  名称：

  Muthmann, W.; Beck, H., Liebigs Annalen der Chemie, 1904, vol. 331, p. 47 - 47

  摘要：

  DOI：
• 作为产物：
  描述：

  氢化铈 (CeH3) 、 氢化铝 以 melt 为溶剂， 生成 Aluminium--cerium (4/1)
  参考文献：
  名称：

  Active species of CeAl4 in the CeCl3-doped sodium aluminium hydride and its enhancement on reversible hydrogen storage performance

  摘要：

  通过在氢化铝钠中直接掺入 CeAl4（它可能是掺有 CeCl3 的 NaAlH4 水合和脱水过程中的活性物种），在中等条件下，不到 20 分钟就能获得 4.77-4.92 wt%（接近预期的 5.13 wt%）的高可逆氢容量。

  DOI：

  10.1039/b916898b

文献信息

• Complex Rare-Earth Aluminum Hydrides: Mechanochemical Preparation, Crystal Structure and Potential for Hydrogen Storage
  作者：Claudia Weidenthaler、André Pommerin、Michael Felderhoff、Wenhao Sun、Christopher Wolverton、Borislav Bogdanović、Ferdi Schüth

  DOI：10.1021/ja9042565

  日期：2009.11.25

  of complex rare-earth aluminum hydride was prepared by mechanochemical preparation. The crystal structure of the REAlH(6) (with RE = La, Ce, Pr, Nd) compounds was calculated by DFT methods and confirmed by preliminary structure refinements. The trigonal crystal structure consists of isolated [AlH(6)](3-) octahedra bridged via [12] coordinated RE cations. The investigation of the rare-earth aluminum hydrides

  采用机械化学方法制备了一种新型络合稀土氢化铝。REAlH(6)（RE = La、Ce、Pr、Nd）化合物的晶体结构是通过 DFT 方法计算的，并通过初步结构细化确认。三角晶体结构由孤立的 [AlH(6)](3-) 八面体通过 [12] 协调 RE 阳离子桥接而成。对热解过程中稀土氢化铝的研究表明，随着稀土元素原子序数的增加，热稳定性降低。稀土氢化物 (REH(x)) 作为初级脱氢产物形成；最终产品是稀土铝合金。稀土氢化铝的计算分解焓处于中等条件下可逆氢化的下限。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Al: MVol.A2, 28, page 336 - 338
  作者：

  DOI：——

  日期：——
• Investigation on the nature of active species in the CeCl3-doped sodium alanate system
  作者：Xiulin Fan、Xuezhang Xiao、Lixin Chen、Shouquan Li、Qidong Wang

  DOI：10.1016/j.jallcom.2010.10.065

  日期：2011.9

  CeCl3-doped NaAlH4 was directly synthesized in hydrogenation process using NaH/Al with 2 mol% CeCl3 under ball-milling. X-ray diffraction was utilized to unveil the nature of cerium during NaAlH4 synthesis process and succedent cycling. It is found that, CeCl3 is reduced in the ball-milling process and following cycles, causing the formation of NaCl and Al-Ce alloy with a structure of CeAl4. The catalytic enhancement arising upon doping the ball-milled CeAl4 alloy is quite similar to that achieved in the CeCl3-doped sodium alanate. Because the CeAl4 dopant does not consume the effective hydrogen storage component, the CeAl4-doped NaAlH4 exhibits more hydrogen storage capacity. Moreover, CeCl3-doped NaAlH4 and CeAl4-doped NaAlH4 exhibit similar apparent activation energies estimated from Kissinger's method, suggesting the reactions are all determined by the same rate-limiting step. These results clearly demonstrate that the in situ formed CeAl4 acts as active species to catalyze the reversible dehydriding/rehydriding of NaAlH4. (C) 2010 Elsevier B.V. All rights reserved.
• Muthmann, W.; Beck, H., Liebigs Annalen der Chemie, 1904, vol. 331, p. 52 - 52
  作者：Muthmann, W.、Beck, H.

  DOI：——

  日期：——
• Biltz, W.; Pieper, H., Zeitschrift fur anorganische Chemie, 1924, vol. 134, p. 19 - 19
  作者：Biltz, W.、Pieper, H.

  DOI：——

  日期：——