| 124887-00-9

• CAS: 124887-00-9
• 化学式: HOSi
• 分子量: 46.0849
• InChiKey: BJAPVOFMEXRQBN-MICDWDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.94
• 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：

  trimethylsilanol-d1 以 gaseous matrix 为溶剂， 生成
  参考文献：
  名称：

  The observation of the ν₁ fundamental bands of HOSi⁺ and DOSi⁺

  摘要：

  The ν1 (H–O) stretches of HOSi+ and DOSi+ have been observed with the difference frequency laser system in the hollow cathode discharge. The ions were observed either by discharge of (CH3)3SiOH or (CH3)3SiOD in a buffer containing H2 (or D2) and He, or by discharging SiH4 and N2O in a buffer of H2 or H2 and He. Discharging SiH4 and H2O in buffers of H2 and H2 and He was not successful in producing HOSi+. The constants obtained were: ν0=3662.364 67(15) cm−1, B000=18 260.75(22) MHz, D000=20.44(31) kHz, B100=18 195.05(23) MHz, and D100=19.91(34) kHz for HOSi+. For DOSi+ we obtained: ν0=2716.558 13 (12) cm−1, B000=16 231.05(24) MHz, D000=15.69(38) kHz, B100=16 154.41(22) MHz, and D100=15.60(33) kHz. These values agree well with the theory. The combination of the two B0 values results in r0(H–O)=0.940 Å and r0(O–Si) =1.537 Å. The differences between these values and the calculated equilibrium values are similar to the corresponding results for HOC+.

  DOI：

  10.1063/1.457578