aluminum-ammonia complex | 141847-89-4

• 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-ammonia complex
• CAS: 141847-89-4
• 化学式: AlH₃N
• 分子量: 44.0121
• InChiKey: PEBOIMQNEJOBJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.22
• 重原子数：
  2
• 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：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氨 、 氢化铝 以 gaseous matrix 为溶剂， 生成 aluminum-ammonia complex
  参考文献：
  名称：

  AlNH 3配合物的零动能谱

  摘要：

  首次观察到喷射冷却的铝氨复合物AlNH 3的脉冲场电离－零动能光电子能谱。光谱显示了来自中性基态的两个自旋轨道水平的振动跃迁，这使得可以测量以下光谱常数：电离势（39 746 cm -1），自旋轨道分裂（58 cm -1），分子间拉伸振动频率（ω 3 + =339厘米-1，ω 3 + X 3 + =3.1厘米-1，和ν 3 =227厘米-1），和分子间弯曲次数（ν 6 + =557厘米-1）。对自旋轨道分裂的观察证实了中性复合物的基态是该状态。

  DOI：

  10.1016/s0009-2614(99)01022-2

文献信息

• A photoionization and photoelectron study of vibrational and electronic cooling in metal molecular beams
  作者：Jason F Fuller、Shenggang Li、Bradford R Sohnlein、Gretchen K Rothschopf、Dong-Sheng Yang

  DOI：10.1016/s0009-2614(02)01556-7

  日期：2002.11

  spectra have been used to study the vibrational cooling of Cu–N(CH3)3 and the electronic cooling of Al–NH3 in helium and argon supersonic jets. The vibrational temperatures of Cu–N(CH3)3 are estimated to be ∼40 K in argon and ∼120 K in helium, whereas the electronic temperatures of Al–NH3 are about 20 and 80 K, respectively. Argon more efficiently cools the internal degrees of freedom of the metal

  阈值光电离和脉冲场电离零电子动能光电子能谱已用于研究氦和氩超音速射流中Cu–N（CH 3）3的振动冷却以及Al–NH 3的电子冷却。据估计，Cu–N（CH 3）3的振动温度在氩气中约为40 K，在氦气中约为120 K，而Al–NH 3的电子温度为分别约为20 K和80K。氩气可以更有效地冷却金属系统的内部自由度，但是氦气提供了有关中性分子的其他光谱信息。观察到的光谱差异极大地促进了这些配合物的光谱分配。
• Structure and Bonding in the Aluminum Radical Species Al·NH₃, HAlNH₂, HAlNH₂·NH₃, and Al(NH₂)₂ Studied by Means of Matrix IR Spectroscopy and Quantum Chemical Calculations
  作者：Benjamin Gaertner、Hans-Jörg Himmel

  DOI：10.1021/ic011292n

  日期：2002.5.1

  Experimental matrix IR spectra in alliance with extensive quantum chemical calculations provide a framework for the detailed evaluation of the structures and electronic properties of the doublet species Al.NH3, Al(NH3)(2), HAlNH2, HAlNH2.NH3, and Al(NH2)(2). These species were the products of the reaction of Al atoms with NH3 in an Ar matrix. While the two species Al.NH3 and HAlNH2 were already sighted in previous experiments, the results described herein lead to the first identification and characterization of HAlNH2.NH3 and AI(NH2)(2), the products of the reaction of Al atoms with two NH3 molecules. The results allow a detailed reaction scheme leading to all the product species to be established. The unpaired electron in each of the species Al.NH3, AI(NH3)(2), HAlNH2, HAlNH2.NH3, and AI(NH2)(2) is located near the Al atom, but there is a significant degree of delocalization, especially in Al(NH2)(2), due to pi bonding interactions. The consequences for the barrier to pyramidalization at the N-atom are discussed.
• Pulsed laser reactive ablation of Al in an ammonia atmosphere: photoionization thresholds and structures of Al–NH3 clusters
  作者：Tonia Di Palma、Andrea Latini、Mauro Satta、Marina Varvesi、Anna Giardini

  DOI：10.1016/s0009-2614(97)01406-1

  日期：1998.2

  A photoionization study of the aluminum ammonia clusters produced by the interaction of the laser ablated aluminum vapour with gaseous NH3 is reported. In the near-threshold photoionization spectrum of Al(NH3) the observed structures are assigned to vibrational frequencies of the ionized cluster. Ionization potentials of Al(NH3)(n) clusters with 2 less than or equal to n less than or equal to 13 have been measured. The cluster ionization potentials are shifted to lower energies compared with the hare Al atom and they decrease almost monotonically with increasing cluster size. This is consistent with a model in which the metal valence electron is delocalized in a Rydberg-like surface state. For small clusters the difference between the binding energy of the ion and the neutral complexes is compared with energetics calculated by a density functional method. (C) 1998 Elsevier Science B.V.
• Direct Determination of the Permanent Dipole Moments and Structures of Al−CH₃CN and Al−NH₃ by Using a 2-m Electrostatic Hexapole Field
  作者：Kohei Imura、Takahiro Kawashima、Hiroshi Ohoyama、Toshio Kasai

  DOI：10.1021/ja010055g

  日期：2001.7.1

  The supersonic beams of the (1-1) metal-ligand complexes of Al-CH3CN and Al-NH3 were produced by a laser evaporation method. Nondestructive structure selection of the complexes and the dipole moment determination were performed by using a 2-m electrostatic hexapole field. The experimentally determined permanent dipole moments are 1.2 +/- 0.1 D for Al-CH3CN and 2.7 +/- 0.2 D for Al-NH3. We find that the dipole moment of Al-NH3 becomes larger than that of neat NH3, while the formation of the Al-CH3CN complex produces a smaller dipole moment than that of neat CH3CN on the other hand. We performed the ab initio calculations to draw out plausible complex structures and to clarify the bonding character after formation of the complex, and we made comparisons with the computational results done by several groups. The Mulliken population analysis suggests the Al-->CH3CN charge flow, but on the other hand the Natural population analysis indicates very little charge flow. For the Al-NH3 complex, the polarization effect of NH3 and the N-->Al sigma donation would enhance the dipole moment strength. However, there still remains a controversial disagreement between the theoretical predictions and the experimental results. Further experimental determination using the hexapole method for various metal-ligand complexes and clusters could reveal the basic nature of interaction in the complex systems in general, and this method would complement theoretical calculations.