Mn4[2,6-bis(1-(2-hydroxyphenyl)iminoethyl)pyridine]2[acetate]4 | 1200403-85-5

• 英文名称: Mn4[2,6-bis(1-(2-hydroxyphenyl)iminoethyl)pyridine]2[acetate]4
• CAS: 1200403-85-5
• 化学式: C₅₀H₄₆Mn₄N₆O₁₂
• 分子量: 1142.7
• InChiKey: OMQQZNICHMXRRD-IVZOZEMSSA-F

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：

  四氢呋喃 、 乙醚 、 Mn4[2,6-bis(1-(2-hydroxyphenyl)iminoethyl)pyridine]2[acetate]4 、 三氟乙酸 以 甲醇 为溶剂， 生成 Mn4[2,6-bis(1-(2-hydroxyphenyl)iminoethyl)pyridine]2[trifluoroacetate]4*1.5(tetrahydrofuran)*0.5(diethyl ether)
  参考文献：
  名称：

  Ligand-Controlled Magnetic Interactions in Mn₄ Clusters

  摘要：

  A method is presented to design magnetic molecules in which the exchange interaction between adjacent metal ions is controlled by electron density withdrawal through their bridging ligands. We synthesized a novel Mn-4 cluster in which the choice of the bridging carboxylate ligands (acetate, benzoate, or trifluoroacetate) determines the type and strength of the three magnetic exchange couplings (J(1), J(2), and J(3)) present between the metal ions Experimentally measured magnetic moments in high magnetic fields show that, upon electron density withdrawal, the main antiferromagnetic exchange constant J(1) decreases from -2.2 K for the [Mn-4(OAc)(4)] cluster to -1.9 K for the [Mn-4(H5C6COO)(4)] cluster and -0.6 K for the [Mn-4(F3CCOO)(4)] cluster, while J(2) decreases from -1 1 K to nearly 0 K and J(3) changes to a small ferromagnetic coupling. These experimental results are further supported with density-functional theory calculations based on the obtained crystallographic structures of the [Mn-4(OAc)(4)] and [Mn-4(F3CCOO)(4)] clusters.

  DOI：

  10.1021/ic901930w
• 作为产物：
  描述：

  2,6-二乙酰基吡啶 、 manganese (II) acetate tetrahydrate 、 2-氨基苯酚 以 甲醇 为溶剂， 以40%的产率得到Mn4[2,6-bis(1-(2-hydroxyphenyl)iminoethyl)pyridine]2[acetate]4
  参考文献：
  名称：

  Ligand-Controlled Magnetic Interactions in Mn₄ Clusters

  摘要：

  A method is presented to design magnetic molecules in which the exchange interaction between adjacent metal ions is controlled by electron density withdrawal through their bridging ligands. We synthesized a novel Mn-4 cluster in which the choice of the bridging carboxylate ligands (acetate, benzoate, or trifluoroacetate) determines the type and strength of the three magnetic exchange couplings (J(1), J(2), and J(3)) present between the metal ions Experimentally measured magnetic moments in high magnetic fields show that, upon electron density withdrawal, the main antiferromagnetic exchange constant J(1) decreases from -2.2 K for the [Mn-4(OAc)(4)] cluster to -1.9 K for the [Mn-4(H5C6COO)(4)] cluster and -0.6 K for the [Mn-4(F3CCOO)(4)] cluster, while J(2) decreases from -1 1 K to nearly 0 K and J(3) changes to a small ferromagnetic coupling. These experimental results are further supported with density-functional theory calculations based on the obtained crystallographic structures of the [Mn-4(OAc)(4)] and [Mn-4(F3CCOO)(4)] clusters.

  DOI：

  10.1021/ic901930w