oxidoaluminium | 14457-64-8

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 后过渡金属氧阴离子化合物
• 英文名称: oxidoaluminium
• 英文别名: aluminum monohydroxide；monohydroxy aluminum
• CAS: 14457-64-8
• 化学式: AlHO
• 分子量: 43.9889
• InChiKey: MPJGFDUNKYERDK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.94
• 重原子数：
  2.0
• 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：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  aluminium hydroxyhydride 以 solid matrix 为溶剂， 生成 oxidoaluminium 、 aluminum monoxide
  参考文献：
  名称：

  电子光谱法对IIIA族金属-水光化学进行基质分离研究

  摘要：

  本文报告了IIIA组金属原子水合反应中间体（M⋯OH 2加合物）及其后续光解产物（HMOH，MOH和MO）的电子结构的研究，其中M = Al，Ga和In。加合物中的金属与水的相互作用足够强，足以扰乱金属原子的电子结构。因此，人们观察到加合物具有独特的能带结构，该加合物从金属的原子共振跃迁中发生了红移。提出了分子轨道和电子状态间的相关性。

  DOI：

  10.1039/f19837901533

文献信息

• Gas-phase reactions between hydrocarbons and metal oxides: the aluminum monoxide + methane reaction from 590 to 1380 K
  作者：David P. Belyung、Arthur Fontijn、Paul Marshall

  DOI：10.1021/j100116a002

  日期：1993.4

  A recent ab inito study suggested that gaseous metal oxides can directly abstract H atoms from hydrocarbons, but with considerable barriers. To try to confirm the occurrence of such reactions, the title reaction has been studied in a high-temperature fast-flow reactor. The data are well described by the fitting expression k(590-1380 K) = 9.6 X 10(-39)(T/K)7.96 exp(2468 K/T) cm3 Molecule-1 s-1, with 2sigma precision limits varying with temperature from +/- 4% to +/- 12%. The corresponding 2sigma accuracy limits are about +/- 25%. Comparison of this result to further ab initio and conventional transition-state theory calculations suggests that direct abstraction indeed can occur at the higher temperatures but that one or more other channels, possibly involving AlO insertion into a C-H bond, dominate in the initial attack step. The potential implications of this work for catalytic conversion of methane to higher hydrocarbons are considered.
• Infrared matrix-isolation studies of the interactions and reactions of Group 3A metal atoms with water
  作者：R. H. Hauge、J. W. Kauffman、J. L. Margrave

  DOI：10.1021/ja00539a005

  日期：1980.9
• Kinetics of the reaction aluminum(2P0) + water over an extended temperature range
  作者：Roy E. McClean、H. H. Nelson、Mark L. Campbell

  DOI：10.1021/j100140a024

  日期：1993.9

  The temperature dependence of the reaction Al(P-2(0)) + H2O has been investigated over the temperature range 298-1174 K. Aluminum atoms were produced by photodissociation of Al(C2H5)3 and were detected by laser-induced fluorescence. Nonlinear Arrhenius behavior is observed, and the measured rate constants can be described by the expression k(T) = (1.9 +/- 1.5) X 10(-12) exp[-(0.88 +/- 0.44 kcal mol-1)/RT] + (1.6 +/- 0.7) X 10(-10) exp[-(5.7 +/- 0.9 kcal mol-1)/RT] cm3 s-1, where the uncertainties represent +/-2sigma. At room temperature the rate constant is pressure independent between 10 and 110 Torr total pressure (Ar buffer gas). Results are interpreted in terms of two metathesis reactions with different Arrhenius parameters, one yielding AlO and the other AlOH.