bis(η5-methylcyclopentadienyl)erbium chloride | 78637-32-8

• 英文名称: bis(η5-methylcyclopentadienyl)erbium chloride
• CAS: 78637-32-8
• 化学式: C₁₂H₁₄ClEr
• 分子量: 360.956
• InChiKey: ZXACOWQAKYKHQL-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：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  bis(η5-methylcyclopentadienyl)erbium chloride 在 THF 、 t-BuLi 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 生成 (C5H4CH3)2Er(t-C4H9)(THF)
  参考文献：
  名称：

  有机镧系元素氢化物化学。1. 二聚有机镧系元素和有机钇氢化物配合物的合成和 X 射线晶体学表征

  摘要：

  (C/sub 5/H/sub 4/R)/sub 2/Ln(tC/sub 4/H/sub 9/)(OC/sub 4/H/sub 8/) (R = H, CH /sub 3/; Ln = Lu, Er, Y) 在室温和大气压下在甲苯中形成二聚氢化物 ((C/sub 5/H/sub 4/R)/sub 2/Ln(OC/sub 4/ H/sub 8/)(..mu..-H))/sub 2/，已通过 ir 和 /sup 1/H 和 /sup 13/C NMR 光谱、络合分析、定量氘分解和 x 表征-射线晶体学。类似的氘化物被类似地制备和表征。((CH/sub 3/C/sub 5/H/sub 4/)/sub 2/Y(OC/sub 4/H/sub 8/)(..mu..-H))/sub 2/结晶来自单斜晶系空间群 P2/sub 1//c 中的 C/sub 4/H/sub 8/O/己烷 a = 8.731 (3)

  DOI：

  10.1021/ja00371a035

文献信息

• Synthesis and properties of new σ-bonded organolanthanide complexes and studies of their infrared spectra
  作者：Changtao Qian、Changqing Ye、Hanzhang Lu、Yuqin Li、Jialie Zhou、Yuanwen Ge、Minoru Tsutsui

  DOI：10.1016/s0022-328x(00)98751-5

  日期：1983.5

  by elemental analyses, infrared spectra and mass spectra. Recrystallization of these complexes from non-polar solvents such as benzene-n-hexane or toluene-n-hexane led to removal of coordinated tetrahydrofuran resulting in unsolvated products. The thermal decomposition temperature and the variable temperature (77–291 K) magnetic susceptibilities of the five unsolvated complexes were measured. The relation

  含LNCσ-键五个新的溶剂化金属有机配合物（η 5 -CH 3 Ç 5 ħ 4）2 ERC 6 ħ 4 CH 3 - p ·THF（I），（η 5 -C 5 H ^ 5）2 LNC 6 H 4 X- p ·THF，L n ＝ Er，X ＝ CH 3（II）；m / z 。Ln Er，XCl（III）；LnYb，X = CH 3（IV）；LN钆，XCH 3（V），通过适当的芳基锂衍生物与反应，合成（η 5 -C 5ħ 5）2 LnCl或（η 5 -CH 3 Ç 5 ħ 4）2 LnCl在THF中在低温（-78℃）。这些配合物的结构通过元素分析，红外光谱和质谱验证。这些配合物从非极性溶剂（如苯-正己烷或甲苯-正己烷）中重结晶导致除去配位的四氢呋喃，从而产生未溶剂化的产物。测量了五个未溶剂化配合物的热分解温度和可变磁化率（77-291 K）。还讨论了结构与氧化稳定性和热稳定性之间的关系。
• Insertion Reaction of Phenyl Isocyanate into the Ln−C σ-Bond of Organolanthanide Complexes:  Synthesis, Characterization, and Crystal Structures of {(C₅H₄CH₃)₂Ln[μ-η¹:η³-OC(R)NPh]}₂ (Ln = Sm, Dy, Er, Ho; R = <i>n</i>-butyl, α-naphthyl)
  作者：Xi-geng Zhou、Li-bei Zhang、Ming Zhu、Rui-fang Cai、Lin-hong Weng、Zi-xiang Huang、Qiang-jin Wu

  DOI：10.1021/om010346y

  日期：2001.12.1

  Cp'2LnR(THF) (Cp' = C5H4CH3) reacted with phenyl isocyanate to form the PhNCO insertion products [CP'(2)Ln(OC(R)NPh)](2) [R = n-butyl, Ln = Sm (1), Dy (2), Er (3); R = alpha -naphthyl, Ln = Dy (4)]. It was found that an excess of PhNCO did not affect the nature of the final complexes, a single insertion only being observed and excess PhNCO forming a cyclotrimer (5). The reaction of Cp'HoCl2(THF)(3) with (BuLi)-Li-n and subsequently with 2 equiv of PhNCO in THF gave Ho[OC(Bu-n)NPh)](3) (6) and [CP'Ho-2(OC(Bu-n)NPh](2) (7), which can be rationalized by the rearrangement reaction of the di-insertion product Cp'Ho[OC(Bu-n)NPh](2)(THF)(x). The structures of 1, 4(.)THF, 5(.)THF and 7 were determined by X-ray diffraction, revealing an unusual bonding mode of the amido groups arising from the insertion of PhNCO into the Ln-C sigma -bonds and that the O-C-N fragment of the OC(R)NPh ligand acts as both a bridging and side-on chelating group.