aluminum(1+) monohydride | 12258-23-0

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: aluminum(1+) monohydride
• CAS: 12258-23-0
• 化学式: AlH
• 分子量: 27.9895
• InChiKey: BSDSLUUQUQGTMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  1.0
• 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 、 氢化铝 以 neat (no solvent, gas phase) 为溶剂， 生成 aluminum(1+) monohydride
  参考文献：
  名称：

  Chemiluminescent reactions of second‐row atomic ions. I. Al⁺+H₂→AlH⁺(A ²Π, B ²Σ⁺)+H

  摘要：

  Light emission from the impact of Al+(1S,3P) ions on H2 molecules at 5.2 to 13.8 eVCM was spectrally analyzed. It was found to consist of two band systems. Of the known A 2Π–X 2Σ+ transition, numerous new bands were observed, allowing a first experimental determination of vibrational constants. In addition, a predicted B 2Σ+–X 2Σ+ system was observed for the first time. Relative emission cross sections for the two systems and for the 1S and 3P reactant species were measured. They parallel closely the trends in the isovalent system B++H2. One important difference is, however, the existence of a large (∼3.5 eV) activation barrier in the dominant Al++H2 reaction channel. This is explained in terms of adiabatic potential hypersurfaces.

  DOI：

  10.1063/1.451642

文献信息

• Chemiluminescent reactions of second‐row atomic ions. I. Al⁺+H₂→AlH⁺(<i>A</i> ²Π, <i>B</i> ²Σ⁺)+H
  作者：B. Müller、Ch. Ottinger

  DOI：10.1063/1.451642

  日期：1986.7

  Light emission from the impact of Al+(1S,3P) ions on H2 molecules at 5.2 to 13.8 eVCM was spectrally analyzed. It was found to consist of two band systems. Of the known A 2Π–X 2Σ+ transition, numerous new bands were observed, allowing a first experimental determination of vibrational constants. In addition, a predicted B 2Σ+–X 2Σ+ system was observed for the first time. Relative emission cross sections for the two systems and for the 1S and 3P reactant species were measured. They parallel closely the trends in the isovalent system B++H2. One important difference is, however, the existence of a large (∼3.5 eV) activation barrier in the dominant Al++H2 reaction channel. This is explained in terms of adiabatic potential hypersurfaces.
• Reinvestigation of the aluminum hydride (AlH⁺ and AlD⁺) cation radicals by ESR in argon matrices at 4 K: Generation by reactive laser sputtering
  作者：Lon B. Knight、S. T. Cobranchi、B. W. Gregory、Edward Earl

  DOI：10.1063/1.452025

  日期：1987.3.15

  The ESR spectra previously assigned to the AlH+ radical ion (X 2Σ) [J. Chem. Phys. 71, 3991 (1979)] actually belong to the divalent neutral aluminum radical AlHOH whose charge distribution and electronic structure can be described as AlH+OH− with 90% of the unpaired electron on the AlH+ part of the molecule. Reactive laser sputtering and photoionization of AlH(g) were used to generate the AlH+ and AlD+ cation radicals, whose ESR spectra have been observed for the first time. A detailed analysis of the ESR results for argon matrices at 4 K reveal unusually large Al hyperfine interaction (hfi) with Aiso and Adip values of 1586(2) and 49(1) MHz, respectively. The H hfi is essentially isotropic with Aiso=442(2) MHz. The observed nuclear hyperfine A tensors for Al and H show excellent agreement with ab initio CI theoretical calculations. The results for AlH+ are compared with the isoelectronic neutral radical MgH, and the similar AlF+ cation radical. The Al hfi is slightly larger in AlD+ relative to AlH+. This interesting isotopic effect is qualitatively explained on the basis of electronic structure dependence on small changes in the bond distance for the two isotopic radicals.