[Li(thf)₄][Gd₄{N(SiMe₃)₂}₄(μ-SEt)₈(μ₄-SEt)] | 1416404-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [Li(thf)₄][Gd₄{N(SiMe₃)₂}₄(μ-SEt)₈(μ₄-SEt)]
• 英文别名: [Li(thf)₄][Gd₄{N(SiMe₃)₂}₄(μ-ethanethiolate)₈(μ₄-ethanethiolate)]
• CAS: 1416404-43-7
• 化学式: C₁₆H₃₂LiO₄*C₄₂H₁₁₇Gd₄N₄S₉Si₈
• 分子量: 2116.06
• InChiKey: WYGHMHBSDYWJNV-UHFFFAOYSA-E

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：

  四氢呋喃 、 [(Me₃Si)₂N]₃Gd(µ-Cl)Li(THF)₃ 、 乙硫醇 反应 4.0h， 以91%的产率得到[Li(thf)₄][Gd₄{N(SiMe₃)₂}₄(μ-SEt)₈(μ₄-SEt)]
  参考文献：
  名称：

  Single-Molecule Magnetism in Tetrametallic Terbium and Dysprosium Thiolate Cages

  摘要：

  Metalation of ethanethiol by [{(Me3Si)(2)N}(3)Ln(mu-Cl)Li(thf)(3)] (Ln = Gd, Tb, Dy) in thf produces the thiolate-bridged tetralanthanide compounds [Li(thf)(4)][Ln(4){N(SiMe3)(2)}(4)(mu-SEt)(8)(mu(4)-SEt)], where Ln = Gd is [Li(thf)(4)][1], Ln = Tb is [Li(thf)(4)][2], and Ln = Dy is [Li(thf)(4)][3]. Crystallographic studies reveal that the monoanions 1-3 are essentially isostructural, consisting of tetrametallic Ln(4) units in which the lanthanides are bridged by mu-ethanethiolate ligands and the individual lanthanide centers occupy distorted six-coordinate {LnNS(5)} coordination environments. The magnetic susceptibility properties of all three compounds were measured in a static (dc) field of 1000 G: the data for the gadolinium anion 1 were reproduced by a model that suggests weak antiferromagnetic and ferromagnetic exchange, with coupling constants of J = -0.09 and +0.04 cm(-1) (-2J formalism). Magnetic susceptibility measurements in a dynamic (ac) field at various frequencies on [Li(thf)(4)][2] and [Li(thf)(4)][3], in zero dc field, reveal properties characteristic of a single-molecule magnet (SMM). Analysis of the out-of-phase magnetic susceptibility for 2 in zero applied field yielded a small anisotropy barrier of U-eff = 4.6 cm(-1), and a similar analysis on 3 produced U-eff = 46 cm(-1). Compounds [Li(thf)(4)][2] and [Li(thf)(4)] [3] are rare examples of sulfur-ligated SMMs.

  DOI：

  10.1021/om3010096