CeF[N(SiMe₃)₂]₃ | 1513619-67-4

• 英文名称: CeF[N(SiMe₃)₂]₃
• CAS: 1513619-67-4
• 化学式: C₁₈H₅₄CeFN₃Si₆
• 分子量: 640.278
• InChiKey: OOCRQDQGTXIFTP-UHFFFAOYSA-M

计算性质

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

反应信息

• 作为反应物：
  描述：

  碘代三甲硅烷 、 CeF[N(SiMe₃)₂]₃ 以 正己烷 为溶剂， 反应 6.0h， 以43%的产率得到CeI[N(SiMe₃)₂]₃
  参考文献：
  名称：

  Synthesis and Analysis of a Family of Cerium(IV) Halide and Pseudohalide Compounds

  摘要：

  The first complete series of isostructural cerium(IV) halide complexes in a conserved ligand framework was isolated by halogen-exchange reactions of CeF[N(SiMe3)(2)](3) with Me3SiX (X = Cl-, Br-, I-). The use of Me3SiX reagents represents a useful method for obtaining cerium(IV) complexes. Spectroscopic, electrochemical, and computational analyses were used to describe the effects of halide coordination on the cerium(IV) metal center. Cerium(IV) complexes of the pseudohalide ligands: N-3(-) and NCS- were also synthesized and evaluated in comparison to the halide congeners. The results showed that the complexes exhibited reduction potentials and electronic absorption energies that varied with the identity of the halide or pseudohalide ligand.

  DOI：

  10.1021/ic500969r
• 作为产物：
  描述：

  ferrocenium(III) tetrafluoroborate 、 tris(bis(trimethylsilylamido))cerium(III) 以 正己烷 为溶剂， 反应 2.0h， 以49%的产率得到CeF[N(SiMe₃)₂]₃
  参考文献：
  名称：

  Synthesis and Analysis of a Family of Cerium(IV) Halide and Pseudohalide Compounds

  摘要：

  The first complete series of isostructural cerium(IV) halide complexes in a conserved ligand framework was isolated by halogen-exchange reactions of CeF[N(SiMe3)(2)](3) with Me3SiX (X = Cl-, Br-, I-). The use of Me3SiX reagents represents a useful method for obtaining cerium(IV) complexes. Spectroscopic, electrochemical, and computational analyses were used to describe the effects of halide coordination on the cerium(IV) metal center. Cerium(IV) complexes of the pseudohalide ligands: N-3(-) and NCS- were also synthesized and evaluated in comparison to the halide congeners. The results showed that the complexes exhibited reduction potentials and electronic absorption energies that varied with the identity of the halide or pseudohalide ligand.

  DOI：

  10.1021/ic500969r

文献信息

• Synthesis, Bonding, and Reactivity of a Cerium(IV) Fluoride Complex
  作者：Ursula J. Williams、Jerome R. Robinson、Andrew J. Lewis、Patrick J. Carroll、Patrick J. Walsh、Eric J. Schelter

  DOI：10.1021/ic402769u

  日期：2014.1.6

  Oxidation of Ce[N(SiMe3)(2)](3) in the presence of PF6- or BF4- afforded isolation of CeF[N(SiMe3)(2)](3). Structural and electrochemical characterization shows that this compound is in its tetravalent oxidation state and contains a terminal fluoride ligand. Spectroscopy and density functional theory have been used to characterize the Ce-F bond as ionic, which is reinforced by an initial reactivity study that demonstrates the nucleophilicity of the fluoride ligand.