[Li][U(N=CtBuPh)6] | 1361538-21-7

• 英文名称: [Li][U(N=CtBuPh)6]
• CAS: 1361538-21-7
• 化学式: C₆₆H₈₄LiN₆U
• 分子量: 1206.4
• InChiKey: SICFWCSABDIXGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  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：

  [Li][U(N=CtBuPh)6] 在 I₂ 作用下， 以 乙醚 为溶剂， 以56%的产率得到[U(N=CtBuPh)6
  参考文献：
  名称：

  Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex

  摘要：

  Reaction of UCl4 with 5 equiv of Li(N=(CBuPh)-Bu-t) generates the homoleptic U(IV) ketimide complex [Li(THF)(2)][U(N=(CBuPh)-Bu-t)(5)] (1) in 71% yield. Similarly, reaction of UCI4 with 5 equiv of Li(N=(CBu2)-Bu-t) affords [Li(THF)][U(N=(CBu2)-Bu-t)(5)] (2) in 67% yield. Oxidation of 2 with 0.5 equiv of I-2 results in the formation of the neutral U(V) complex U(N=(CBu2)-Bu-t)(5) (3). In contrast, oxidation of 1 with 0.5 equiv of I-2, followed by addition of 1 equiv of Li(N=(CBuPh)-Bu-t), generates the octahedral U(V) ketimide complex [Li][U(N=(CBuPh)-Bu-t)(6)] (4) in 68% yield. Complex 4 can be further oxidized to the U(VI) ketimide complex U(N=(CBuPh)-Bu-t)(6) (5). Complexes 1-5 were characterized by X-ray crystallography, while SQUID magnetometry, EPR spectroscopy, and UV-vis-NIR spectroscopy measurements were also preformed on complex 4. Using this data, the crystal field splitting parameters of the f orbitals were determined, allowing us to estimate the amount of f orbital participation in the bonding of 4.

  DOI：

  10.1021/ja211875s
• 作为产物：
  描述：

  [Li(THF)2][U(N=CtBuPh)5] 、 Li(N=CtBuPh) 在 I₂ 作用下， 以 乙醚 为溶剂， 以68%的产率得到[Li][U(N=CtBuPh)6]
  参考文献：
  名称：

  Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex

  摘要：

  Reaction of UCl4 with 5 equiv of Li(N=(CBuPh)-Bu-t) generates the homoleptic U(IV) ketimide complex [Li(THF)(2)][U(N=(CBuPh)-Bu-t)(5)] (1) in 71% yield. Similarly, reaction of UCI4 with 5 equiv of Li(N=(CBu2)-Bu-t) affords [Li(THF)][U(N=(CBu2)-Bu-t)(5)] (2) in 67% yield. Oxidation of 2 with 0.5 equiv of I-2 results in the formation of the neutral U(V) complex U(N=(CBu2)-Bu-t)(5) (3). In contrast, oxidation of 1 with 0.5 equiv of I-2, followed by addition of 1 equiv of Li(N=(CBuPh)-Bu-t), generates the octahedral U(V) ketimide complex [Li][U(N=(CBuPh)-Bu-t)(6)] (4) in 68% yield. Complex 4 can be further oxidized to the U(VI) ketimide complex U(N=(CBuPh)-Bu-t)(6) (5). Complexes 1-5 were characterized by X-ray crystallography, while SQUID magnetometry, EPR spectroscopy, and UV-vis-NIR spectroscopy measurements were also preformed on complex 4. Using this data, the crystal field splitting parameters of the f orbitals were determined, allowing us to estimate the amount of f orbital participation in the bonding of 4.

  DOI：

  10.1021/ja211875s