(η5-1,3-diferrocenyl-1,3-butadiene-1-olato)tricarbonylmanganese | 1333226-66-6

• 英文名称: (η5-1,3-diferrocenyl-1,3-butadiene-1-olato)tricarbonylmanganese
• CAS: 1333226-66-6
• 化学式: C₂₇H₂₁Fe₂MnO₄
• 分子量: 576.093
• InChiKey: HOWSELAMXCHRTC-UHFFFAOYSA-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：

  乙酰基二茂铁 、 benzylpentacarbonylmanganese 、 9-重氮基-9H-芴 以 正庚烷 、 甲苯 为溶剂， 以24%的产率得到(η5-1,3-diferrocenyl-1,3-butadiene-1-olato)tricarbonylmanganese
  参考文献：
  名称：

  Adventitious formation of a new oxopentadienyl Mn(I) tricarbonyl complex: Structural study and bonding investigation of (η5-CH2C(Fc)CHC(Fc)O)Mn(CO)3

  摘要：

  A Mn(I) tricarbonyl complex of a 1,3-diferrocenyl-1-oxopentadienyl ligand was synthesised adventitiously by what seems to be an in-situ aldol-like condensation of two acetylferrocene units promoted by benzyl-Mn(CO)(5). X-ray structural analysis of this unexpected product confirms the eta(5) coordination of the 1,3-diferrocenyl-1-oxopentadienyl ligand to the Mn(CO)(3) moiety. The nature of the metal-ligand bonding relationship was studied by theoretical calculations; it outlines the charge unbalance (polarisation) at the oxopentadienyl moiety as well as the lack of ketone character of the latter Mn-bound ligand. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.06.011