silanol-d | 83892-35-7

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 均质其他非金属化合物
• 英文名称: silanol-d
• 英文别名: hydroxysilylene
• CAS: 83892-35-7
• 化学式: H₂OSi
• 分子量: 47.0928
• InChiKey: CNCZYCSDGOQELK-MICDWDOJSA-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：

  氘代水 、 硅烷 以 solid matrix 为溶剂， 生成 silanol-d 、 silanol-d
  参考文献：
  名称：

  Matrix isolation studies of the reactions of silicon atoms. I. Interaction with water: The infrared spectrum of hydroxysilylene HSiOH

  摘要：

  This study focuses on the interactions and reactions of silicon atoms and molecules with water. Initially, a silicon–water adduct (Si:OH2) is formed, as noticed from the red shift of the ν2 bending modes of H2O, HDO, and D2O. This silicon “hydrate’’ complex rearranges spontaneously through hydrogen tunneling to give HSiOH and HSiOD as final products of the reaction of Si with H2O and HDO. Photolysis of Si:OD2 with λ⩾400 nm is necessary for the production of the deuterated insertion product DSiOD. All silicon hydroxy–hydrides undergo a photolytic decomposition reaction when strongly irradiated to give silicon monoxide and molecular hydrogen or two hydrogen atoms. Band assignments for trans-HSiOH, trans- and cis-HSiOD, and DSiOD have been made. It appears that the cis-isomer converts to the more stable trans-isomer when the matrix is heated. The SiOH bond angle has been calculated for a planar structure of Cs symmetry using the Redlich–Teller product rule and the torsional frequencies for HSiOH, HSiOD, and DSiOD. Normal coordinate analyses have been carried out using the measured frequencies for six isotopomers, namely, HSiOH, HSiOD, DSiOD, HSi 18OH, HSi 18OD, and DSi 18OD. Thermodynamic properties have also been calculated for this new species.

  DOI：

  10.1063/1.444082