bis(η5-cyclopentadienyl)((OOCH)2)vanadium(IV) | 796882-46-7

• 英文名称: bis(η5-cyclopentadienyl)((OOCH)2)vanadium(IV)
• 英文别名: (η5-cyclopentadienyl)2V(IV)(OOCH)2；Cp2V(OOCH)2
• CAS: 796882-46-7；793727-15-8
• 化学式: C₁₂H₁₂O₄V
• 分子量: 271.166
• InChiKey: LBNCGUBQXCZPSE-UHFFFAOYSA-L

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：

  甲酸 、 二氯化二茂钒 在 Ag₂O 作用下， 以 甲酸 为溶剂， 以48.8%的产率得到bis(η5-cyclopentadienyl)((OOCH)2)vanadium(IV)
  参考文献：
  名称：

  Synthesis, characterization and structural investigation of the first vanadocene(IV) carboxylic acid complexes prepared from the vanadocene dichloride

  摘要：

  Two types of vanadocene complexes with carboxylic acids have been synthesized from the aqueous solution, Cp2V(OOCR)(2) (R = H, CCl3 and CF3) and Cp2V(OOC-A-COO) (A = - and CH2), and characterized by EPR, IR, and Raman spectroscopy and X-ray diffraction analysis. Monocarboxylic and dicarboxylic acids form monodentate and chelate complexes, respectively. Both bonding types were evidenced by X-ray diffraction analysis. Structures and EPR HFC tensors were also calculated at the DFT level. Correlation between the complex structure and HFC tensor was established. HFC tensors are characteristic for the type of bond of carboxylic acid on vanadocene fragment. It is shown that the structure of complexes can be determined by the combination of theoretical method with experimental EPR spectra. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.11.042