环硅丙烷 | 157-21-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 中文名称: 环硅丙烷
• 英文名称: Silacyclopropan
• 英文别名: Silacyclopropane；silirane
• CAS: 157-21-1
• 化学式: C₂H₆Si
• 分子量: 58.1551
• InChiKey: JPBJMYVOQWDQNS-UHFFFAOYSA-N

物化性质

• 沸点：
  -9.7±7.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  乙烯 在 silacarbene 作用下， 生成 乙烯基硅烷 、 polycarbosilane 、 、 、 2-methylsilene 、 环硅丙烷
  参考文献：
  名称：

  298-595 K温度范围内原型硅烷加成反应SiH2 + C2H4的气相动力学研究。第三体介导缔合的一个例子

  摘要：

  Time-resolved studies of silylene, SiH2, generated by laser flash photolysis of phenylsilane, have been carried out to obtain rate constants for its bimolecular reaction with ethene. The reaction was studied in the gas phase, over the pressure range 1-100 Torr (in SF6 bath gas) at five temperatures in the range 298-595 K. The reaction of SiH2 with C2H4 is pressure dependent, consistent with a third-body assisted association reaction to form silirane. While silirane was too labile to be detected, vinylsilane, another possible product, was ruled out by GC analysis. Extrapolation of the pressure dependent rate constants gave the Arrhenius equation: log(k(infinity)/cm(3) molecule(-1) s(-1)) (-9.97 +/- 0.03) + (2.8 +/- 0.2) kJ mol(-1)/RTln 10. These parameters are consistent with a fast, nearly collision-controlled, association process. RRKM modeling, based on a consistent transition state for silirane decomposition, gave a good fit to the pressure dependent curves. The calculations employed a weak collisional deactivation model and confirmed (within +/- 12 kJ mol(-1)) the most recent theoretical value for Delta H-f(o)(silirane) of 124 kJ mol(-1). An enthalpy surface for the reaction highlights the importance of entropy, rather than enthalpy (or energy), in determining the breakdown pathway of silirane.

  DOI：

  10.1021/j100071a021