| 12439-79-1

• CAS: 12439-79-1
• 化学式: O₂Si₂
• 分子量: 88.1698
• InChiKey: HGAYOSVIKXAUIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  4
• 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：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

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

• Structure of silicon monoxide dimer: a comparison between aluminum monofluoride dimer, silicon monoxide dimer, and phosphorus mononitride dimer. Matrix infrared investigation and ab initio calculation
  作者：Hansgeorg Schnoeckel、Thomas Mehner、Harald S. Plitt、Stephan Schunck

  DOI：10.1021/ja00195a008

  日期：1989.6

  The structure of dimeric SiO is reexamined by a study of the IR spectra of the matrix-isolated species. Spectra of isotopomers from experiments with sup 29}Si- and sup 18}O-enriched samples are discussed with the help of normal-coordinate analysis. The results are in line with data of the geometrical and electronic structure obtained by ab initio SCF calculations. The dimerization energy calculated

  通过研究基质分离物质的红外光谱，重新检查了二聚 SiO 的结构。在正坐标分析的帮助下讨论了 sup 29}Si 和 sup 18}O 富集样品实验中的同位素光谱。结果与 ab initio SCF 计算得到的几何和电子结构数据一致。量子化学方法计算的二聚化能与重新计算的实验数据吻合良好。借助对等电子物质 PN 和 AlF 的额外从头计算，可以获得它们二聚化趋势之间有趣的相关性。将 SiO 的结构数据与类似分子的类似数据（例如，BF）进行比较。