tris((tri-t-butyl)methanolato)europium(III)

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: tris((tri-t-butyl)methanolato)europium(III)
• 化学式: 3C₁₃H₂₇O*Eu
• 分子量: 750.03
• InChiKey: FFKQNJIMCODQTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  15.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.06
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2-甲基四氢呋喃 、 tris((tri-t-butyl)methanolato)europium(III) 以 2-甲基四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Electronic structures of highly symmetrical compounds of f elements

  摘要：

  By comparing the nephelauxetic ratios beta of a number of molecular Pr-III compounds, and the Stater parameters F-2 (or Racah parameters E-1) of molecular Nd-III and selected Sm-III compounds, presumably more covalent types of Eu-III compounds could be identified. Powdered [Eu{N(SiMe3)(2)](3)] (1), "[Eu{OC(tBu)(3)](3)]" ("3") and [Eu(eta(5)-C5H5)(3)(CNC6H11)] (5) were resynthesized following usual procedures. The absorption transitions F-7(0) -> 5 Do of an oriented single crystal of 1, a glassy frozen solution of I dissolved in a mixture of 2-MeTHF/THF (ratio 3:1) ([Eu{N(SiMe3)(2)](3)(THF)], (2)), of "3" dissolved in 2-MeTHF ([Eu{OC(tBu)(3))(3)(MeTHF)], (4)), and of 5 dissolved in a mixture of the inert solvents methylcyclohexane/toluene (ratio 1:1), were measured at room and low temperatures (90 K). The energy differences of this transition for compounds 1, 2, 4 and 5 are larger than those of [Eu(H2O)(9)](3+) or even gaseous Eu3+, indicating quasi "anti-nephelauxetic" effects. Crystal field calculations, however, reveal that lower Slater parameters F-2 (or Racah parameters E-1) have to be used than those of [Eu(H2O)(9)](3+) in order to reproduce the experimental energy differences between F-7(0) and D-5(0), thus indicating the expected nephelauxetic effects of more covalent Eu-III compounds. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.06.084