(t-Bu2MeSi)2SiHLi | 1237511-51-1

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: (t-Bu2MeSi)2SiHLi
• CAS: 1237511-51-1
• 化学式: C₁₈H₄₃LiSi₃
• 分子量: 350.737
• InChiKey: YAQFFFAVXYIXKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.39
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  (t-Bu2MeSi)2SiHLi 在 dichloro(dimethylamino)silane 、 盐酸 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.25h， 以85%的产率得到(t-Bu2MeSi)2HSiSiHCl2
  参考文献：
  名称：

  Isolable Photoreactive Polysilyl Radicals

  摘要：

  Reaction of silyl substituted dichlorosilanes with lithiosilanes in hexane leads exclusively to the corresponding stable silyl radicals. Two radicals, the new (t-Bu2MeSi)(2)HSi(t-Bu2MeSi)(2)Si center dot (1) and the previously isolated (t-Bu2MeSi)(3)Si center dot (2), were isolated and fully characterized including by X-ray crystallography. This one-step method is general and was applied for the synthesis of other silyl. radicals. Upon irradiation radical 1 (yellow solution in hexane) decays to yield the corresponding disproportionation products, silane and disilene (blue colored). In contrast, radical 2 is photostable in the absence of additives, but it abstracts hydrogen from triethylsilane and 2-propanol upon irradiation. DFT calculations and irradiation experiments with lambda > 400 nm suggest that SOMO-1 square SOMO excitation, which provides better electron accepting properties to the radical, is responsible for the photoreactivity of 1 and 2.

  DOI：

  10.1021/ja905097b