3,3',3'',3''',3'''',3''''',3'''''',3'''''''-(2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1,3,5,7,9,11,13,15-octayl)octakis(propan-1-amine), hydrogen salt | 203130-43-2

• 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: 3,3',3'',3''',3'''',3''''',3'''''',3'''''''-(2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1,3,5,7,9,11,13,15-octayl)octakis(propan-1-amine), hydrogen salt
• CAS: 203130-43-2
• 化学式: C₂₄H₆₄N₈O₁₂Si₈*8H
• 分子量: 889.566
• InChiKey: LLWAXGAAEMUVQK-BYLOPRMWSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -1.33
• 重原子数：
  52.0
• 可旋转键数：
  24.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  318.92
• 氢给体数：
  8.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  manganese(II) chloride tetrahydrate 、 3,3',3'',3''',3'''',3''''',3'''''',3'''''''-(2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1,3,5,7,9,11,13,15-octayl)octakis(propan-1-amine), hydrogen salt 以 水 、 丙酮 为溶剂， 以93 mg的产率得到
  参考文献：
  名称：

  Layered Hybrid Perovskites with Micropores Created by Alkylammonium Functional Silsesquioxane Interlayers

  摘要：

  Layered organic-inorganic hybrid perovskites that consist of metal halides and organic interlayers are a class of low-dimensional materials. Here, we report the fabrication of layered hybrid perovskites using metal halides and silsesquioxane with a cage-like structure. We used a silsesquioxane as an interlayer to produce a rigid structure and improve the functionality of perovskite layers. Propylammonium-functionalized silsesquioxane and metal halide salts (CuCl2, PdCl2, PbCl2, and MnCl2) were self-assembled to form rigid layered perovskite structures with high crystallinity. The rigid silsesquioxane structure produces micropores between the perovskite layers that can potentially be filled with different molecules to tune the dielectric constants of the interlayers. The obtained silsesquioxane-metal halide hybrid perovskites exhibit some characteristic properties of layered perovskites including magnetic ordering (CuCl42- and MnCl42-) and excitonic absorption/emission (PbCl42-). Our results indicate that inserting silsesquioxane interlayers into hybrid perovskites retains and enhances the low-dimensional properties of the materials.

  DOI：

  10.1021/jacs.5b00290
• 作为产物：
  描述：

  3-氨基丙基三乙氧基硅烷 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 3,3',3'',3''',3'''',3''''',3'''''',3'''''''-(2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1,3,5,7,9,11,13,15-octayl)octakis(propan-1-amine), hydrogen salt
  参考文献：
  名称：

  Layered Hybrid Perovskites with Micropores Created by Alkylammonium Functional Silsesquioxane Interlayers

  摘要：

  Layered organic-inorganic hybrid perovskites that consist of metal halides and organic interlayers are a class of low-dimensional materials. Here, we report the fabrication of layered hybrid perovskites using metal halides and silsesquioxane with a cage-like structure. We used a silsesquioxane as an interlayer to produce a rigid structure and improve the functionality of perovskite layers. Propylammonium-functionalized silsesquioxane and metal halide salts (CuCl2, PdCl2, PbCl2, and MnCl2) were self-assembled to form rigid layered perovskite structures with high crystallinity. The rigid silsesquioxane structure produces micropores between the perovskite layers that can potentially be filled with different molecules to tune the dielectric constants of the interlayers. The obtained silsesquioxane-metal halide hybrid perovskites exhibit some characteristic properties of layered perovskites including magnetic ordering (CuCl42- and MnCl42-) and excitonic absorption/emission (PbCl42-). Our results indicate that inserting silsesquioxane interlayers into hybrid perovskites retains and enhances the low-dimensional properties of the materials.

  DOI：

  10.1021/jacs.5b00290