((methyl)(H)Si(η5-C5Me4)(η1-N(t)Bu))TiCl(+)[B(C6F5)4](-) | 1234785-18-2

• 英文名称: ((methyl)(H)Si(η5-C5Me4)(η1-N(t)Bu))TiCl(+)[B(C6F5)4](-)
• CAS: 1234785-18-2
• 化学式: C₁₄H₂₅ClNSiTi*C₂₄BF₂₀
• 分子量: 997.821
• InChiKey: LRMBQSWCYIHPCZ-WMVBMBIMSA-M

计算性质

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

• 作为产物：
  描述：

  ((methyl)(H)Si(η5-C5Me4)(η1-N(t)Bu))TiCl2 、 三苯碳四(五氟苯基)硼酸盐 以 CD₂Cl₂ 为溶剂， 生成 ((methyl)(Cl)Si(η5-C5Me4)(η1-N(t)Bu))TiCl2 、 ((methyl)(H)Si(η5-C5Me4)(η1-N(t)Bu))TiCl(+)[B(C6F5)4](-)
  参考文献：
  名称：

  Silylium–metallocenium dications derived from hydrosilyl-bridged metallocenes and roles in polymerization of polar and nonpolar vinyl monomers

  摘要：

  Hydrosilyl-bridged half-metallocene ((H)CGC)TiMe2 (1) [(H)CGC = Me(H)Si(eta(5)-C5Me4)(eta(1)-(NBu)-Bu-t)] and ansa-metallocene rac-((SBI)-S-H)ZrMe2 (2) [(SBI)-S-H = Me(H)Si(eta(5)-indenyl)(2)] are doubly activated with 2 equiv of Al(C6F5)(3), through methide abstractions from both M-Me bonds, to generate homo-dications 1-Ti2+ and 2-Zr2+, or with 2 equiv of Ph3CB(C6F5)(4), through unique simultaneous hydride and methide abstractions from the Si-H and M-Me bonds, to produce a novel class of silylium-metallocenium hetero-dications 1-Si+Ti+ and 2-Si+Zr+. Analogous chloride-derivatives of hetero-dications can also be produced starting from the dichloride precursors, but the chloride abstraction occurs through a transit silylium ion. An opposite activity trend has been observed for the influence of the hetero-dication formation on polymerizations of polar (MMA) and nonpolar (propylene) vinyl monomers. In MMA polymerization, the activity of the hetero-dications, especially the metallocene-based 2-Si+Zr+, is substantially lower than the corresponding monocations. In marked contrast, the propylene polymerization activity of hetero-dications has seen 100% and 40% enhancements for 1-Si+Ti+ and 2-Si+Zr+, respectively, over their respective monocations. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.02.030