Aluminium--tungsten (2/1) | 12428-56-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Aluminium--tungsten (2/1)
• 英文别名: alumane;tungsten
• CAS: 12428-56-7
• 化学式: Al₂W
• 分子量: 237.813
• InChiKey: STACOHSWWHUVMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.37
• 重原子数：
  3
• 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

• 作为产物：
  描述：

  钨 、 氢化铝 以 melt 为溶剂， 生成 Aluminium--tungsten (4/1) 、 Aluminium--tungsten (2/1)
  参考文献：
  名称：

  Crystal structure and high-pressure studies of WAl2, an aluminide crystallizing with the CrSi2 structure type

  摘要：

  The novel intermetallic compound WAl2 crystallizes with space group PG422 and lattice parameters a = 4.7422(1)angstrom, c = 6.6057(2)angstrom. The crystal structure was solved from single-crystal X-ray diffraction data. WAl2 was found to be the first aluminide that is isotypic with CrSi2. A high-pressure powder X-ray diffraction study showed its stability up to at least 31.5(1) GPa. The bulk modulus was calculated by fitting a third-order Birch-Murnaghan equation of state to the pressure-volume data as K0 = 168(11) GPa and its pressure derivative K' = 7.7(1.0). Partially covalent bonding between W and Al atoms was indicated by means of the electron localization function (ELF) and explains the anisotropic compression behavior. Quantum chemical calculations identify WAl2 as a potential high-temperature phase. (c) 2008 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2008.06.053

文献信息

• 10.1007/s10789-008-1005-y
  作者：Raskolenko、Gerul'skii

  DOI：10.1007/s10789-008-1005-y

  日期：——