thionyl azide | 744244-33-5

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属有机物
• 英文名称: thionyl azide
• CAS: 744244-33-5
• 化学式: N₆OS
• 分子量: 132.106
• InChiKey: ZIYYRUJKGIAZII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  氯化亚砜 、 迭氮银 以 neat (no solvent) 为溶剂， 生成 thionyl azide 、 silver(I) chloride
  参考文献：
  名称：

  Reaction of AgN₃ with SOCl₂:  Evidence for the Formation of Thionyl Azide, SO(N₃)₂

  摘要：

  Pure thionyl azide SO(N-3)(2), which is the only gaseous reaction product, has been generated in a vacuum by the heterogeneous reaction of SOCl2 vapor with AgN3 at room temperature at a SOCl2 vapor pressure of 1 x 10(-3) Torr. Evidence for the formation of SO(N-3)(2) is given by on line photoelectron spectroscopy (PES) combined with outer valence Green's function (OVGF) calculations with the 6-311++G(2df) basis set. The good agreement between the PES experiment and the OVGF calculation shows that SO(N-3)(2) has C-1 symmetry. The first ionization energy of SO(N-3)(2) is 10.18 eV.

  DOI：

  10.1021/ic049442s