dichloro-methyl-pyrrol-1-yl-silane | 18243-73-7

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: dichloro-methyl-pyrrol-1-yl-silane
• 英文别名: Dichlor-methyl-pyrrol-1-yl-silan；Dichloro-methyl-pyrrol-1-ylsilane；dichloro-methyl-pyrrol-1-ylsilane
• CAS: 18243-73-7
• 化学式: C₅H₇Cl₂NSi
• 分子量: 180.109
• InChiKey: ZPQZPNMHMYCKGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  甲基三氯硅烷 、 lithium pyrrolide 以 乙醚 为溶剂， 反应 8.0h， 以32%的产率得到dichloro-methyl-pyrrol-1-yl-silane
  参考文献：
  名称：

  Optical properties of pyrrolyl-substituted polysilanes

  摘要：

  Pyrrolyl-substituted polysilanes were synthesized in the present study. The pyrrolyl rings directly attached to the Si conjugated main chains with Si-N bonds. Poly(alkylpyrrolylsilane) and poly(phenylpyrrolylsilane) showed a chromophore which is attributed to sigma-sigma* transition in the conjugated system associated with near-UV fluorescence. However, a strong photoluminescence band was observed at 450-500 mn other than the near-UV photoluminescence for the polysilanes. The luminescence is due to the energy relaxation from sigma* to an inter-band level produced by sigma-pi mixing between main chain sigma-conjugated system and pyrrolyl groups as suggested by theoretical calculations. Transient spectroscopy of the polysilanes was also carried out showing a new chromophore at the vis-IR region (800 nm) other than near-UV (300-400 nm) and IR (similar to 2000 nm) absorption bands typically observed for alkyl- and phenyl-substituted polysilanes. It also supports the presence of the mid-gap level in the pyrrolyl-substituted polysilanes. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00398-3

文献信息

• Pyrrylsilanes
  作者：KURT C. FRISCH、ROLAND M. KARY

  DOI：10.1021/jo01115a003

  日期：1956.9
• Optical properties of pyrrolyl-substituted polysilanes
  作者：Shu Seki*、Yoshihisa Kunimi、Kazutaka Nishida、Kayo Aramaki、Seiichi Tagawa*

  DOI：10.1016/s0022-328x(00)00398-3

  日期：2000.10

  Pyrrolyl-substituted polysilanes were synthesized in the present study. The pyrrolyl rings directly attached to the Si conjugated main chains with Si-N bonds. Poly(alkylpyrrolylsilane) and poly(phenylpyrrolylsilane) showed a chromophore which is attributed to sigma-sigma* transition in the conjugated system associated with near-UV fluorescence. However, a strong photoluminescence band was observed at 450-500 mn other than the near-UV photoluminescence for the polysilanes. The luminescence is due to the energy relaxation from sigma* to an inter-band level produced by sigma-pi mixing between main chain sigma-conjugated system and pyrrolyl groups as suggested by theoretical calculations. Transient spectroscopy of the polysilanes was also carried out showing a new chromophore at the vis-IR region (800 nm) other than near-UV (300-400 nm) and IR (similar to 2000 nm) absorption bands typically observed for alkyl- and phenyl-substituted polysilanes. It also supports the presence of the mid-gap level in the pyrrolyl-substituted polysilanes. (C) 2000 Elsevier Science S.A. All rights reserved.