[Pd(η5-C5H5)Fe(η5-C5H3CH2NMe2)Cl(PPh3)2] | 160326-54-5

• 英文名称: [Pd(η5-C5H5)Fe(η5-C5H3CH2NMe2)Cl(PPh3)2]
• CAS: 160326-54-5
• 化学式: C₄₉H₄₆ClFeNP₂Pd
• 分子量: 908.578
• InChiKey: ARTZVFZMJFLZIF-UHFFFAOYSA-M

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：

  [Pd((η5-C5H5)Fe[(η5-C5H3)CH2NMe2])(μ-Cl)]2 在 PPh₃ 作用下， 以 苯 为溶剂， 以69.2%的产率得到[Pd(η5-C5H5)Fe(η5-C5H3CH2NMe2)Cl(PPh3)2]
  参考文献：
  名称：

  Effects of the nature of the nitrogen donor atom (sp²versus sp³) upon the properties and chemistry of palladated complexes with σ(Pd–C_sp2, ferrocene) bonds

  摘要：

  The NMR and Mossbauer spectra and electrochemistry of the N-donor ferrocenyl ligands [Fe(eta(5)-C5H5){(eta 5- C5H4CH=NCH(2)Ph)}] and [Fe(eta(5)-C5H5)(eta(5)-C(5)H(4)CH(2)NMe(2))] as-well as their mononuclear derivatives with sigma(Pd-C-sp2, ferrocene) bonds [Pd{(eta(5)-C5H5)Fe(eta(5)-C5H3CH=NCH(2)Ph)}Cl(L)], [Pd{(eta(5)-C5H5)Fe(eta(5)-C(5)H(3)CH(2)NMe(2))}Cl(L)] [L = 1-methylimidazole (mim) or PPh(3)], and [Pd{(eta(5)-C5H5) Fe(eta(5)-C(5)H(3)CH(2)NMe(2))}Cl(PPh(3))(2)] have been studied. Comparison of the data allows an understanding of the influence of the nature of the N-donor atom of the ferrocenyl moiety (sp(2) versus sp(3)) upon the properties of these compounds. In particular, the differences observed in the quadrupole splitting parameters obtained from Mossbauer spectroscopy reveal not only that the palladium(II) acts as an electron-withdrawing group in all these cyclometallated derivatives. but also that most of the electron density is withdrawn from the imine CH=N moiety in the derivatives containing ferrocenyl Schiff bases as ligands. The crystal structures of [Pd{(eta(5)-C5H5) Fe(eta(5)-C5H5CH=NCH(2)Ph)}Cl(PPh(3))] and [Pd{(eta(5)-C5H5)Fe(eta(5)-C(5)H(2)CH(2)NMe(2))}Cl(mim)] have been determined.

  DOI：

  10.1039/dt9940003039