[Nd(η5-1,3-bis(trimethylsilyl)cyclopentadienyl)2(κ1-triflate)(2,2'-bipyridine)] | 900180-71-4

• 英文名称: [Nd(η5-1,3-bis(trimethylsilyl)cyclopentadienyl)2(κ1-triflate)(2,2'-bipyridine)]
• CAS: 900180-71-4
• 化学式: C₃₃H₅₀F₃N₂NdO₃SSi₄
• 分子量: 868.415
• InChiKey: AVTDPXCKKHBOMP-UHFFFAOYSA-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：

  2,2'-联吡啶 、 乙醚 、 [(Nd(η5-1,3-bis(trimethylsilyl)cyclopentadienyl)2(μ2-κ2-triflate)(μ3-κ3-triflate)Li(thf))2] 以 四氢呋喃 为溶剂， 以72%的产率得到[Nd(η5-1,3-bis(trimethylsilyl)cyclopentadienyl)2(κ1-triflate)(2,2'-bipyridine)]
  参考文献：
  名称：

  Diversity of triflate coordination modes in neodymocene complexes containing bulky bis(trimethylsilyl)cyclopentadienyl ligands

  摘要：

  The reaction of Nd(OTf)(3) (OTf = O3SCF3) with two molar equivalents of LiCp '' [Cp '' = C5H3(SiMe3)(2)-1,3] in thf solution generated the blue, tetrametallic dimer [{Nd(eta(5)-Cp '')(2)(mu(2)-k(2)-O3SCF3)(mu(3)-k(3)-O3SCF3)Li(thf)}(2)] (1a), which has been shown by X-ray crystallography to contain a tricyclic, ladder-like scaffold with Nd and Li cations and OTf anions at its core. Compound la was relatively labile, being readily cleaved by a variety of donor molecules. 18-Crown-6 efficiently encapsulated the lithium cation to yield the salt [Li(18-crown-6)][Nd( eta(5)-Cp '')(2)(k(1)-O3SCF3)(k(2)-O3SCF3)] (2). Addition of N,N,N',N'-tetramethylethylenediamine (tmeda) afforded the monomeric bimetallic [Nd(eta(5)-Cp '')(2)(mu(2)-k(2)-O3SCF3)(2)Li(tmeda)] (3), while the more rigid donor 2,2'-bipyridine (bipy) produced the neutral, Li-free complex [Nd(eta(5)-Cp '')(2)(K-1-O3SCF3)(bipy)] (4). The molecular and crystal structures of 2-4, as well as that of 1b, the unstable La analogue of la, have been determined by X-ray methods. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.12.063