| 200203-31-2

• CAS: 200203-31-2
• 化学式: C₄₈H₉₆Fe₈N₈O₂₄*Cl*Cs
• 分子量: 1784.46
• InChiKey: PKYWVPYEYNJOFY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• 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

• 作为反应物：
  描述：

  、 丙酮 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Magnetic Anisotropy of a Cyclic Octanuclear Fe(III) Cluster and Magneto-Structural Correlations in Molecular Ferric Wheels

  摘要：

  The magnetic anisotropy of the cyclic octanuclear Fe(m) cluster [Cs subset of Fe-8{N(CH2CH2O)(3)}(8)]Cl was investigated. Based on a spin Hamiltonian formalism and the consequent use of all symmetries, the magnetic;anisotropy could be calculated exactly to first order, i.e., in the strong exchange limit; Experimentally, the magnetic anisotropy was investigated by magnetic susceptibility and high-field torque magnetometry of single crystals. The field and angle dependence of the torque at 1.7 K could be accurately reproduced by the calculations with one single parameter set, providing accurate results for the coupling constant and single-ion zero-field-splitting. These magnetic parameters are compared to those of several related hexanuclear ferric wheels and are discussed with respect to magneto-structural correlations for both coupling constant and single-ion anisotropy.

  DOI：

  10.1021/ic0012827