| 138435-00-4

• CAS: 138435-00-4
• 化学式: C₁₂H₂₀Fe₂N₂O₁₂
• 分子量: 495.991
• InChiKey: DSGHBNJTCNCZNM-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  Iron(III) nitrate nonahydrate 、 N-(2-羟乙基)亚氨基二乙酸 在 NaOH 作用下， 以 水 为溶剂， 以66.1%的产率得到
  参考文献：
  名称：

  Synthesis, Structures, and Magnetic Properties of Fe2, Fe17, and Fe19 Oxo-Bridged Iron Clusters: The Stabilization of High Ground State Spins by Cluster Aggregates

  摘要：

  The compound[Fe(heidi)(H2O)]2, where H(3)heidi = N(CH2COOH)(2)(CH2CH2OH), crystallizes in a triclinic space group P (1) over bar, with a = 6.838(1) Angstrom, b = 7.058(1) Angstrom, c = 9.676(2) Angstrom, alpha = 103.29(1)degrees, beta = 93.58(1)degrees, gamma = 97.83(1)degrees and is a dinuclear iron(III) compound with the two iron atoms linked by the alkoxide function of the ligand. The dinucleating ability of this ligand is also present in the two polyiron(III) oxyhydroxide cluster compounds [Fe-19(mu(3)-O)(6)(mu(3)-OH)(6)(mu(2)-OH)(8)(heidi)(10)(H2O)(12)](1+) and [Fe-17(mu 3-O)(4)(mu 3-OH)(6)(mu 2-OH)(10)(heidi)(8)(H2O)12](3+) which crystalize in the same unit cell together with 60 lattice waters and four nitrate anions in the triclinic space group P (1) over bar, with a = 12.693(13) Angstrom, b = 18.060(17) Angstrom, c = 28.784(15) Angstrom, alpha = 93.66(6)degrees, beta = 94.95(6)degrees, gamma = 89.88(8)degrees. These clusters contain trapped iron hydroxide mineral portions produced by a modified hydrolysis of iron(III) in the presence of the ligand. They are the largest polyiron(III) oxyhydroxide clusters synthesized to date. A detailed investigation of their magnetic properties using ac and dc susceptibility measurements and EPR and Mossbauer spectroscopies reveals that in at least one of the clusters the ground state spin cannot be smaller than S = 33/2, the largest spin ground state so far observed in a molecular cluster.

  DOI：

  10.1021/ja00114a012