| 66106-75-0

• CAS: 66106-75-0
• 化学式: H₂OSi
• 分子量: 46.1008
• InChiKey: ARNZMXWZXMHMNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.21
• 重原子数：
  2.0
• 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：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  正硅酸甲酯 生成
  参考文献：
  名称：

  Gas-phase generation and characterization of neutral and ionized HSiOH, H2SiO, H2SiOH, and H3SiO by collisional-activation and neutralization-reionization mass spectrometry

  摘要：

  Results of mass spectrometric measurements are reported which characterize the chemical bonding in the stable ions HSiOH.+, H2SiO.+, H2SiOH+, and H3SiO+ and provide evidence for the existence of the corresponding neutral molecules HSiOH, H2SiO, H2SiOH., and H3SiO., in the gas phase. The experiments were performed with a modified four-sector ZAB mass spectrometer with a BEBE configuration and collision cells mounted in the intermediate field-free regions B(1)/E(1), E(1)/B(2), and B(2)/E(2). Observed collisional-activation (CA) mass spectra of the ions [H2,Si,O].+ and [H3,Si,O]+ generated from electron impact of tetramethoxysilane are most compatible with the connectivities HSiOH.+ and H2SiOH+, respectively. Neutralization-reionization (NRMS) experiments and CA experiments with the "recovery" signals established identical connectivities for the corresponding neutral species. Charge-reversal (CR) experiments with the negative ions [H2,Si,O].- and [H3,Si,O]- generated from C6H5SiH3 by chemical ionization in the presence of N2O were used to provide evidence for isomeric ions with the connectivities H2SiO.+ and H3SiO+ while neutralization-reionization (-NR+) experiments showed that the connectivities of the negative ions were carried forward to the corresponding neutral species. Theoretical predictions suggest that the H3SiO+, which was observed experimentally, is in its triplet state.

  DOI：

  10.1021/j100177a042