aluminum isocyanide | 199595-67-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: aluminum isocyanide
• CAS: 199595-67-0
• 化学式: CAlN
• 分子量: 53.9882
• InChiKey: CKCHLXHSTBAWQP-YTBWXGASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 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：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  三甲基甲硅烷基甲腈 、 氢化铝 以 gaseous matrix 为溶剂， 生成 aluminum isocyanide
  参考文献：
  名称：

  The millimeter-wave spectrum of AlNC: chemical trends in metal isocyanide molecules

  摘要：

  The millimeter-wave spectrum of AINC (X-1 Sigma(+)) has been recorded using direct absorption techniques in the range 131-536 GHz, including data for several quanta of the bending vibration and the C-13 isotopomer. The species was created by the reaction of aluminum vapor and trimethylsilyl cyanide. Twenty rotational transitions were recorded for the main isotopomer and nine for AIN(13)C, as well as lines for the (01(1)0), (02(0)0), and (02(2)0) states. Rotational and I-type doubling constants have been determined for this species, as well as bond lengths. These measurements indicate that AINC is a linear and fairly rigid molecule, as well as being the favored isomer, in agreement with theory. (C) 1997 Elsevier Science B.V.

  DOI：

  10.1016/s0009-2614(97)00950-0