(3-chloropyridine)2iron(II) phthalocyanine | 75009-58-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (3-chloropyridine)2iron(II) phthalocyanine
• CAS: 75009-58-4
• 化学式: C₄₂H₂₄Cl₂FeN₁₀
• 分子量: 795.473
• InChiKey: NXZAHTUPUPVDAE-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：

  3-氯吡啶 、 铁酞菁 以 乙腈 为溶剂， 生成 (3-chloropyridine)2iron(II) phthalocyanine
  参考文献：
  名称：

  X‐ray photoelectron spectroscopy of phthalocyanine compounds

  摘要：

  X-ray photoelectron spectra arising from carbon 1s, nitrogen 1s, and iron 2p and 3s levels of metal-free phthalocyanine (H2Pc), iron (II) phthalocyanine [Fe (II) Pc], and several derivatives of ironphthalocyanine (FePcL), where L=Cl, NO and FePcL2, where L=imidazole, 3-chloropyridine, 3-picoline) are presented. Measurements on C1s and N1s levels are similar to those published in the literature, using the C1s main peak as an internal calibrant. Fe3s spectra show multiplet splitting for FePc and FePcL compounds while for FePcL2 there is no observable multiplet splitting. Satellite structure adjacent to the Fe2p1/2, 2p3/2 lines for FePcL2 compounds and to the N1s photolines for all compounds studied are observed. The main conclusions on the electron configuration of iron in the phthalocyanine compounds are presented and are used to discuss some unsolved charge transfer and spin state problems.

  DOI：

  10.1063/1.440166