(η5-methoxyethyl cyclopentadiene)Nd(η8-cyclooctatetraene)(THF) | 274924-90-2

• 英文名称: (η5-methoxyethyl cyclopentadiene)Nd(η8-cyclooctatetraene)(THF)
• CAS: 274924-90-2
• 化学式: C₂₀H₂₇NdO₂
• 分子量: 443.673
• InChiKey: KCUUEFHZMXTAKK-VNOJDAHOSA-N

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

• 作为产物：
  描述：

  四氢呋喃 、 potassium (2-methoxyethyl)cyclopentadienide 、 三氯化钕 、 Potassium cyclooctatetraene dianion 以 四氢呋喃 为溶剂， 以41%的产率得到(η5-methoxyethyl cyclopentadiene)Nd(η8-cyclooctatetraene)(THF)
  参考文献：
  名称：

  Synthesis and crystal structure of lanthanide sandwich complexes with mixed cyclooctatetraenyl and chelating ether side chain-cyclopentadienyl ligands: crystal structures of (η5-MeOCH2CH2Cp)Nd(η8-C8H8)(THF) and (η5-C4H7OCH2C5H4)La(η8-C8H8)(THF)

  摘要：

  LnCl(3) reacted with K2C8H8 in THF in the ratio 1:1 at room temperature and formed (C8H8)LnCl . nTHF, which was then treated with RCpK-THF (RCp = MeOCH2CH2C5H4 or C4H7OCH2C5H4) to yield the title complexes (eta(5)-RCp)Ln(eta(8)-C8H8) (THF) (Ln = Nd (1) and Sm (2), RCp = MeOCH2CH2C5H4; Ln = La (3), Nd (4) and Sm (5), RCp = C4H7OCH2C5H4). The crystal structures of complexes 1 and 3 were determined by X-ray diffraction and revealed that the oxygen atoms of the ether group on the cyclopentadienyl ring is coordinated to the central metal atom. The central lanthanum atom is in a distorted tetrahedral geometry. The average bond distances Nd-C(eta(8)) and Nd-C(eta(5)) are 2.697(2) and 2.749(2) Angstrom, respectively, while the Nd-O(THF) and Nd-O(eta(1)) distances are 2.580(1) and 2.619(1) Angstrom, respectively. The average bond lengths La-C(eta(5)) and La-C(eta(8)) are 2.842(7) and 2.740(8) Angstrom, respectively. The La-O(THF) and La-O(eta(1)) distances are 2.607(4) and 2.633(4) Angstrom. (C) 2000 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00384-8