[(C5H5)(dppe)Fe=C=CH-CH2-CH2-CN](1+) | 174904-07-5

• 英文名称: [(C5H5)(dppe)Fe=C=CH-CH2-CH2-CN](1+)
• CAS: 174904-07-5
• 化学式: C₃₆H₃₄FeNP₂
• 分子量: 598.467
• InChiKey: DHEACNJKSJFWOX-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

• 作为反应物：
  描述：

  [(C5H5)(dppe)Fe=C=CH-CH2-CH2-CN](1+) 在 K₂CO₃ 作用下， 以 二氯甲烷 为溶剂， 生成 [Fe(C.tplbond.C-CH2CH2-CN)(dppe)(C5H5)]
  参考文献：
  名称：

  Comparison of the oxidation of dinuclear cyclopentadienyl iron diphosphine complexes with the bridging ligands −CN and −CC(CH2)2Cn

  摘要：

  The alkynyliron complex [Fe(C=C-CH2CH2-CN)(dppe)(C5H5)] (2) (dppe = Ph(2)PCH(2)CH(2)PPh(2)), prepared from [Fe(C=C-CH2CH2-CN)(CO)(2)(C5H5)] (1) and dppe under UV irradiation, reacted with HBF(4)Et(2)O in tetrahydrofuran and with NH4[PF6] in CH2Cl2 to give the cationic vinylidene derivative [Fe(=C=CH-CH2CH2-CN)(dppe)(C5H5)][A](A = BF4 (3a) or PF6 (3b)), which can be reconverted to 2 with K2CO3 in CH2Cl2. The compound [(C5H5)(dppe)Fe-NC-CH2CH2-C=CH][PF6] (4), which is a tautomeric form of 3 was prepared by reaction of [Fe(I)(dppe)(C5H5)] with the alkyne HC=C-CH2CH2CN in the presence of NH4[PF6] in CH2Cl2. The dinuclear compound [(C5H5)(dppe)Fe-C=C-CH2CH2-CN-Fe(dppe)(C5H5)][PF6] (5), which is unstable, can be formed by reaction of 2 with [Fe(NCMe)(dppe)(C5H5)] PF(6)in CH2Cl2. Its electrochemical oxidation shows that there is no electronic interaction between the two metal centres. Extended Huckel molecular orbital calculations have been carried out on the model complexes [(C5H5)(PH3)(2)Fe-C=C-CH2CH2-CN-Fe(PH3)(2)(C5H5)](+) (7) and [(C5H5)(PH3)(2)Fe-CN-Fe(PH3)(2)(C5H5)](+) (8).

  DOI：

  10.1016/0022-328x(95)05829-e