| 1159974-87-4

• CAS: 1159974-87-4
• 化学式: C₂₁H₃₄B₁₀Si
• 分子量: 422.696
• InChiKey: OZTRGOZMQOGZQD-ATNAJCNCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  三甲基氯硅烷 、 、 tetrakis(dimethylamido)zirconium 以 正己烷 为溶剂， 以85%的产率得到(CH3)2Si(η5-indenyl)[η5:η1-C5H3-3-(C(CH3)2CB10H10C)ZrCl
  参考文献：
  名称：

  Group 4 ansa-metallocenes derived from o-carborane and their luminescent properties

  摘要：

  Luminescent group 4 complexes derived from o-carborane, M(eta(5):eta(1)-CpCMe2CB10H10C)(2) (M = Ti; 1, Zr; 2, Hf; 3) and Me2Si(eta(5)-Ind)[eta(5):eta(1)-Cp-3-(CMe2CB10H10C)]ZrCl (4) were explored. While the Ti complex 1 possessing C-2 molecular symmetry shows non-centrosymmetry in the unit cell as identically observed in 2 and 3, the double-ansa Zr complex 4 crystallizes in centrosymmetric P2(1)/n space group despite its C-1 molecular symmetry. The non-centrosymmetric crystals of 2 and 3 exhibit blue mechanoluminescence similar to their solution and solid state photoluminescence. In contrast, 1 is lacking mechanoluminescence in crystal and shows much weaker emission than other congeners in solution. The electroluminescence devices based on 2 or 3 doped poly(N-vinylcarbazole) (PVK) as an emitting layer display green electroluminescence, which turned out to be originated from the exciplexes formed between the complex and PVK host. Although the double ansa-Zr complex 4 does not show mechanoluminescence owing to the centrosymmetric nature, it exhibits good electron-transporting properties when incorporated into the electron-transporting layer of Alq3-based OLEDs. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.12.062
• 作为产物：
  描述：

  、 1-(chlorodimethylsilyl)indene 以 乙醚 为溶剂， 以45%的产率得到
  参考文献：
  名称：

  Group 4 ansa-metallocenes derived from o-carborane and their luminescent properties

  摘要：

  Luminescent group 4 complexes derived from o-carborane, M(eta(5):eta(1)-CpCMe2CB10H10C)(2) (M = Ti; 1, Zr; 2, Hf; 3) and Me2Si(eta(5)-Ind)[eta(5):eta(1)-Cp-3-(CMe2CB10H10C)]ZrCl (4) were explored. While the Ti complex 1 possessing C-2 molecular symmetry shows non-centrosymmetry in the unit cell as identically observed in 2 and 3, the double-ansa Zr complex 4 crystallizes in centrosymmetric P2(1)/n space group despite its C-1 molecular symmetry. The non-centrosymmetric crystals of 2 and 3 exhibit blue mechanoluminescence similar to their solution and solid state photoluminescence. In contrast, 1 is lacking mechanoluminescence in crystal and shows much weaker emission than other congeners in solution. The electroluminescence devices based on 2 or 3 doped poly(N-vinylcarbazole) (PVK) as an emitting layer display green electroluminescence, which turned out to be originated from the exciplexes formed between the complex and PVK host. Although the double ansa-Zr complex 4 does not show mechanoluminescence owing to the centrosymmetric nature, it exhibits good electron-transporting properties when incorporated into the electron-transporting layer of Alq3-based OLEDs. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.12.062