[CeCl(μ-Cl)2(tetrahydrofuran)2]n | 159696-22-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [CeCl(μ-Cl)2(tetrahydrofuran)2]n
• 英文别名: oxolane;trichlorocerium
• CAS: 159696-22-7
• 化学式: C₈H₁₆CeCl₃O₂
• 分子量: 390.693
• InChiKey: FCMYWEPZIQWCBM-UHFFFAOYSA-K

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

• 作为反应物：
  描述：

  [CeCl(μ-Cl)2(tetrahydrofuran)2]n 、 [叔丁基(三甲基硅基)氨基]锂 以 四氢呋喃 为溶剂， 以77%的产率得到
  参考文献：
  名称：

  Syntheses and X-ray structures of cerium amide complexes

  摘要：

  Reaction of CeCl3 with an excess of LiTMP (TMP-H = 2,2,6,6-tetramethylpiperidine) gave [Ce(mu-OCH=CH2)(TMP)(2)](2). The alkoxide ligand originated from THF, which was used as the solvent in the reaction. CeCl3 reacted with 3 equiv. of LiTMP in THF to produce, after crystallization, a 3:2 crystalline mixture of Ce(TMP)(3) and [Ce(mu-OCH=CH2)(TMP)(2)](2). Ce(TMP)(3) could not be isolated cleanly or separated from the mixture except by handpicking the crystals under a microscope. The homoleptic amide complex Ce[N-t-Bu(SiMe3)](3) was obtained by reacting CeCl3(THF)(2) with 3 equivalents of LiN-t-Bu(SiMe3). In the solid state, [Ce(mu-OCH=CH2)(TMP)(2)](2) is a dimer with a Ce(mu-OR)(2)Ce four-member ring, while Ce(TMP)(3) and Ce[N-t-Bu(SiMe3)](3) are trigonal planar monomers. There is structural evidence to suggest the presence of a Ce-vinyl group interaction in [Ce-(mu-OCH=CH2)(TMP)(2)](2). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.06.029
• 作为产物：
  描述：

  四氢呋喃 、 三氯化铈 在 L,L-lactide 作用下， 以 四氢呋喃 为溶剂， 生成 [CeCl(μ-Cl)2(tetrahydrofuran)2]n
  参考文献：
  名称：

  Evans, William J.; Shreeve, Julie L.; Ziller, Joseph W., Inorganic Chemistry, 1995, vol. 34, # 3, p. 576 - 585

  摘要：

  DOI：

文献信息

• Halide-abstraction reactions of tin(IV) and lanthanide(III) chlorides in tetrahydrofuran: crystal and molecular structures of [LnCl2(thf )5][SnCl5(thf  )] where Ln = Ce, Gd or Yb
  作者：Gerald R. Willey、Timothy J. Woodman、David J. Carpenter、William Errington

  DOI：10.1039/a702963b

  日期：——

  It has been established that halide abstraction from several lanthanide(III) chlorides can be effected by tin tetrachloride. Direct treatment (1∶1) of LnCl 3 where Ln = Ce, Gd or Yb with SnCl 4 in tetrahydrofuran (thf) provided colourless compounds of the generic type LnSnCl 7 (thf) 6 which have been identified by X-ray crystallography as ionic salts [trans-LnCl 2 (thf) 5 ][SnCl 5 (thf)]. The individual seven-co-ordinate cations feature a regular pentagonal-bipyramidal metal geometry in which a trans-LnCl 2 unit is surrounded by five thf molecules arranged in an equatorial plane. These co-ordinated solvent molecules adopt the familiar ‘propeller-like’ arrangement indicative of a skew as opposed to envelope ligand conformation. For Ln = Ce, Ce–Cl 2.697(2), Ce–O mean 2.495(5) Å; for Ln = Gd, Gd–Cl 2.608(2), Gd–O mean 2.415(4) Å; for Ln = Yb, Yb–Cl 2.5375(13), Yb–O mean 2.346(4) Å. The six-co-ordinate [SnCl 5 (thf)] - anions common to the series show a two-fold axis of symmetry containing the metal atom, the oxygen (thf) atom and a chloride atom mutually trans to the latter. Bond distances for Ln = Ce, i.e. Sn–O 2.276(7), Sn–Cl mean 2.399(2) Å, are typical for the series.

  已经证实，四氯化锡可以从几种镧系（III）氯化物中抽取卤化物。在四氢呋喃（thf）中用氯化锡 4 直接处理（1∶1）LnCl 3（其中 Ln = Ce、Gd 或 Yb），可得到无色的 LnSnCl 7 (thf) 6 通式化合物，经 X 射线晶体学鉴定为离子盐 [trans-LnCl 2 (thf) 5 ][SnCl 5 (thf)]。单个七配位阳离子具有规则的五角双锥金属几何形状，其中一个反式氯化锰 2 单元被排列在赤道面上的五个噻吩分子包围。这些配位溶剂分子采用了我们熟悉的 "螺旋桨式 "排列，表明配体的构象是倾斜的，而不是包络的。对于 Ln = Ce，Ce-Cl 2.697(2)，Ce-O 平均 2.495(5)埃；对于 Ln = Gd，Gd-Cl 2.608(2)，Gd-O 平均 2.415(4)埃；对于 Ln = Yb，Yb-Cl 2.5375(13)，Yb-O 平均 2.346(4)埃。该系列中常见的六配位[SnCl 5 (thf)] - 阴离子显示出包含金属原子、氧原子（thf）和与后者互为反式的氯原子的双重对称轴。Ln = Ce 的键距，即 Sn-O 2.276(7)埃，Sn-Cl 平均 2.399(2)埃，是该系列的典型键距。