| 149817-63-0

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• CAS: 149817-63-0
• 化学式: O₄Si₄
• 分子量: 176.34
• InChiKey: QADUHAQRRSRMMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  一氧化硅 以 gaseous matrix 为溶剂， 生成 、 、
  参考文献：
  名称：

  Raman-spectroscopy of oligomeric SiO species isolated in solid methane

  摘要：

  From the IR-spectra of matrix isolated SiO species a D2h-structure has been postulated for the dimer and a D3h-structure for the trimer. High quality Raman-spectra—necessary for the complete characterization—were missing so far. Here we report the Raman-spectra especially of the totally symmetric vibrations for Si2O2 and Si3O3 and their O16/18O isotopomers isolated in solid methane. We also detect the most intense A1-vibration of Si4O4 and can assign it with its O16/18O isotopic splitting. Ab initio calculations for all oligomers are presented in order to support the assignment of the spectra and to obtain geometric and energetic information about the oligomeric species which have been detected experimentally.

  DOI：

  10.1063/1.480123

文献信息

• Raman-spectroscopy of oligomeric SiO species isolated in solid methane
  作者：Markus Friesen、Markus Junker、Andreas Zumbusch、Hansgeorg Schnöckel

  DOI：10.1063/1.480123

  日期：1999.11

  From the IR-spectra of matrix isolated SiO species a D2h-structure has been postulated for the dimer and a D3h-structure for the trimer. High quality Raman-spectra—necessary for the complete characterization—were missing so far. Here we report the Raman-spectra especially of the totally symmetric vibrations for Si2O2 and Si3O3 and their O16/18O isotopomers isolated in solid methane. We also detect the most intense A1-vibration of Si4O4 and can assign it with its O16/18O isotopic splitting. Ab initio calculations for all oligomers are presented in order to support the assignment of the spectra and to obtain geometric and energetic information about the oligomeric species which have been detected experimentally.