| 138516-95-7

• 分子结构分类: 有机化合物 - 碳化物
• CAS: 138516-95-7
• 化学式: C₂H₂Al
• 分子量: 53.0194
• InChiKey: HSSWWXYOSBXAKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.52
• 重原子数：
  3.0
• 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：

  氢化铝 、 乙炔 以 gaseous matrix 为溶剂， 生成 、 、 Al(acetylene) 、 ethynylaluminum
  参考文献：
  名称：

  Reactions of Pulsed-Laser-Evaporated Al with C and C2H2. Infrared Spectra and CASSCF Calculations for AlC, Al2C, Al2C2, and AlC2H

  摘要：

  Pulsed-laser evaporated Al and C atoms have been reacted in a condensing argon stream to form AlC, Al2C, and AlCCAl. These molecules were identified from carbon-13 substitution and by comparing observed and CASSCF-calculated frequencies. The analogous Al atom reaction with C2H2 gave HCCAl in higher yield than in earlier thermal Al experiments with C2H2 following photolysis of the AlC2H2 complex. These aluminum acetylide molecules contain C=C bonds that are calculated to be slightly longer than that for C2H2.

  DOI：

  10.1021/ja00087a043