dibromo(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-(9,9-dimethyl-2-fluorenyl)silane | 1253900-44-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: dibromo(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-(9,9-dimethyl-2-fluorenyl)silane
• 英文别名: EindSiBr2(2-Flu)
• CAS: 1253900-44-5
• 化学式: C₄₃H₅₈Br₂Si
• 分子量: 762.827
• InChiKey: JOHYULBUHFAIKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.38
• 重原子数：
  46.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 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：

  dibromo(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-(9,9-dimethyl-2-fluorenyl)silane 在 2-naphthyllithium 作用下， 以 四氢呋喃 为溶剂， 以37%的产率得到(E)-1,2-bis(9,9-dimethyl-2-fluorenyl)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)disilene
  参考文献：
  名称：

  Air-Stable, Room-Temperature Emissive Disilenes with π-Extended Aromatic Groups

  摘要：

  pi-Conjugated disilenes with 2-naphthyl or 2-fluorenyl groups on the silicon atoms have been synthesized as air-stable emissive red solids using the bulky 1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl (Eind) groups. The strong a pi-pi* absorptions and distinct emission at room temperature, both in solution and in the solid state, have been observed due to the substantial contribution of the 3p(pi)*(Si-Si)-2p(pi)*(carbon pi-electron system) conjugation.

  DOI：

  10.1021/ja108094m
• 作为产物：
  描述：

  EindSiH2(2-Flu) 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 苯 为溶剂， 反应 2.0h， 以62%的产率得到dibromo(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-(9,9-dimethyl-2-fluorenyl)silane
  参考文献：
  名称：

  Air-Stable, Room-Temperature Emissive Disilenes with π-Extended Aromatic Groups

  摘要：

  pi-Conjugated disilenes with 2-naphthyl or 2-fluorenyl groups on the silicon atoms have been synthesized as air-stable emissive red solids using the bulky 1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl (Eind) groups. The strong a pi-pi* absorptions and distinct emission at room temperature, both in solution and in the solid state, have been observed due to the substantial contribution of the 3p(pi)*(Si-Si)-2p(pi)*(carbon pi-electron system) conjugation.

  DOI：

  10.1021/ja108094m

文献信息

• π-conjugated phosphasilenes stabilized by fused-ring bulky “Rind” groups
  作者：Tsukasa Matsuo、Baolin Li、Kohei Tamao

  DOI：10.1016/j.crci.2010.07.005

  日期：2010.8

  π-conjugated phosphasilenes stabilized by bulky protecting groups based on a fused-ring octa-R-substituted s-hydrindacene skeleton (Rind groups) is reviewed. The phosphasilenes with a variety of aryl substituents at the silicon atom are covered in detail. The X-ray crystallography analysis showed the highly coplanar π-framework reinforced by the perpendicularly-fixed Rind groups. Strong π–π* absorptions have been

  摘要 综述了基于稠环八-R-取代的 s-hydrindacene 骨架（Rind 基团）的大保护基团稳定的 π-共轭磷杂环烯的化学进展。详细介绍了在硅原子上具有多种芳基取代基的磷硅烯。X 射线晶体学分析显示了由垂直固定的 Rind 基团增强的高度共面的 π 框架。已经观察到强 π-π* 吸收，证明了 π 共轭在骨架上的延伸。DFT 计算表明 LUMO 涉及 3pπ*(Si-P)–2pπ*(碳 π-电子系统)共轭的显着贡献。还包括 π 共轭磷杂环烯的金 (I) 配合物的制备。