| 55997-39-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 55997-39-2
• 化学式: AlF₄H₂O*C₄H₁₂N
• 分子量: 195.136
• InChiKey: VCQHEIQANUGXLE-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  31.5
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  aluminum oxide 、 四甲基氯化铵 以 氢氟酸 为溶剂， 生成
  参考文献：
  名称：

  Bentrup, Ursula; Massa, Werner, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1991, vol. 46, # 3, p. 395 - 399

  摘要：

  DOI：

文献信息

• Hypothetical AlF3 crystal structures
  作者：Armel Le Bail、Florent Calvayrac

  DOI：10.1016/j.jssc.2006.06.010

  日期：2006.10

  Applying a structure prediction computer programme (GRINSP = Geometrically Restrained INorganic Structure Prediction), the occurrence of 6-connected 3D networks was investigated, through AlF6 octahedra exclusive corner sharing. The five known AlF3 varieties were reproduced (alpha-, beta-, eta-, K- and tau-AlF3) and seven hypothetical models were predicted. Among these still to be synthesized AlF3 phases, one can recognize two known structure types (TICa2Ta5O15, Ba4CoTa10O30) and some easy to imagine intergrowths; however, a few others are completely unexpected, though simple. A comparison of the ab initio total energies of all the structures is provided, leading to the conclusion that the virtual models could well be viable. (c) 2006 Elsevier Inc. All rights reserved.
• Bentrup, U., European Journal of Solid State and Inorganic Chemistry
  作者：Bentrup, U.

  DOI：——

  日期：——
• Adsorption properties of various forms of aluminium trifluoride investigated by PulseTA®
  作者：M. Feist、R. König、S. Bäßler、E. Kemnitz

  DOI：10.1016/j.tca.2009.10.008

  日期：2010.1

  The current study employs the Pulse Thermal Analysis (PTA) method to investigate the adsorption of gaseous methanol onto various forms of aluminium trifluoride drawing special attention to the strongly adsorbing beta-AlF3 and the recently described high-surface (HS) AlF3. Simultaneously or subsequently occurring physisorption and chemisorption can be clearly distinguished and partly quantified. BET surface and NH3-TPD data will be discussed together with the surface coverage by methanol determined by TA. The extraordinary sorptive properties of HS-AlF3 are due to acidic sites at the remarkably large surface. The crystalline modifications eta-AlF3, theta-AlF3, and kappa-AlF3 are less-important as they poorly adsorb exhibiting thermogravimetric curves without clearly expressed mass changes. Their surface loading is comparably poor as found for the stable modification alpha-AlF3. (C) 2009 Elsevier B.V. All rights reserved.