[Fe(II)₆(O₂CNⁱPr₂)₁₂]

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [Fe(II)₆(O₂CNⁱPr₂)₁₂]
• 化学式: 12C₇H₁₄NO₂*6Fe
• 分子量: 2065.41
• InChiKey: CORBGDIBMOACQL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.45
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [Fe(II)₆(O₂CNⁱPr₂)₁₂] 、 水 以 甲苯 为溶剂， 反应 168.0h， 以97.2%的产率得到Fe(II)₈(μ₄-O)₂(O₂CNⁱPr₂)₁₂
  参考文献：
  名称：

  Oxidation by dioxygen of manganese(II) and iron(II) complexes

  摘要：

  Fast oxidations of the iron(II)N,N-dialkylcarbamato complexes [Fe(II)(O2CNR2)(2)](n) (R = Et, n = 6, 1; R = Pr-i, 2) and [Fe(II)(8)(mu(4)-O)(2)((O2CNPr2)-Pr-i)(12)], 3, by dioxygen were carried out both in an anhydrous hydrocarbon and in the solid state affording [Fe(III)(2)(O)(O2CNR2)(4)](x), 7 and 8 for R = Et and Pr-i, respectively, and [Fe(III)(4)(O)(3) ((O2CNPr2)-Pr-i)(6)](y), 9. The stoichiometric O-2 uptake was not accompanied by oxidation of the ligand. Recovery of unchanged starting material was observed when the manganese(II) derivatives [Mn(II)(O2CNR2)(2)](n) (R = Et, n = 6, 4; R = Pr-i, 5) were treated with O-2. Nevertheless, when [Mn(II)(8)(mu(4)-O)(2)((O2CNPr2)-Pr-i)(12)], 6, prepared in situ by reaction of 5 with water (Mn/H2O molar ratio = 4), was reacted with O-2, complete oxidation occurred to a product where manganese showed an average. oxidation number III, [Mn(III)(4)(O)(3) ((O2CNPr2)-Pr-i)(6)](y), 10. The product [Mn(II)(6)Mn(III)(2)(mu(4)-O)(2)(mu(3)-O)((O2CNPr2)-Pr-i)(12)], 11, obtained by partial oxidation of 6 by 02, has been characterised by X-ray diffraction methods. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.08.011
• 作为产物：
  描述：

  iron(dichloride)*1.5(tetrahydrofuran) 、 二氧化碳 、 二异丙胺 以 甲苯 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 48.0h， 生成 [Fe(II)₆(O₂CNⁱPr₂)₁₂]
  参考文献：
  名称：

  Oxidation by dioxygen of manganese(II) and iron(II) complexes

  摘要：

  Fast oxidations of the iron(II)N,N-dialkylcarbamato complexes [Fe(II)(O2CNR2)(2)](n) (R = Et, n = 6, 1; R = Pr-i, 2) and [Fe(II)(8)(mu(4)-O)(2)((O2CNPr2)-Pr-i)(12)], 3, by dioxygen were carried out both in an anhydrous hydrocarbon and in the solid state affording [Fe(III)(2)(O)(O2CNR2)(4)](x), 7 and 8 for R = Et and Pr-i, respectively, and [Fe(III)(4)(O)(3) ((O2CNPr2)-Pr-i)(6)](y), 9. The stoichiometric O-2 uptake was not accompanied by oxidation of the ligand. Recovery of unchanged starting material was observed when the manganese(II) derivatives [Mn(II)(O2CNR2)(2)](n) (R = Et, n = 6, 4; R = Pr-i, 5) were treated with O-2. Nevertheless, when [Mn(II)(8)(mu(4)-O)(2)((O2CNPr2)-Pr-i)(12)], 6, prepared in situ by reaction of 5 with water (Mn/H2O molar ratio = 4), was reacted with O-2, complete oxidation occurred to a product where manganese showed an average. oxidation number III, [Mn(III)(4)(O)(3) ((O2CNPr2)-Pr-i)(6)](y), 10. The product [Mn(II)(6)Mn(III)(2)(mu(4)-O)(2)(mu(3)-O)((O2CNPr2)-Pr-i)(12)], 11, obtained by partial oxidation of 6 by 02, has been characterised by X-ray diffraction methods. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.08.011

文献信息

• Oxidation by dioxygen of manganese(II) and iron(II) complexes
  作者：Daniela Belli Dell’Amico、Luca Labella、Fabio Marchetti、Piero Mastrorilli、Simona Samaritani、Stefano Todisco

  DOI：10.1016/j.poly.2013.08.011

  日期：2013.11

  Fast oxidations of the iron(II)N,N-dialkylcarbamato complexes [Fe(II)(O2CNR2)(2)](n) (R = Et, n = 6, 1; R = Pr-i, 2) and [Fe(II)(8)(mu(4)-O)(2)((O2CNPr2)-Pr-i)(12)], 3, by dioxygen were carried out both in an anhydrous hydrocarbon and in the solid state affording [Fe(III)(2)(O)(O2CNR2)(4)](x), 7 and 8 for R = Et and Pr-i, respectively, and [Fe(III)(4)(O)(3) ((O2CNPr2)-Pr-i)(6)](y), 9. The stoichiometric O-2 uptake was not accompanied by oxidation of the ligand. Recovery of unchanged starting material was observed when the manganese(II) derivatives [Mn(II)(O2CNR2)(2)](n) (R = Et, n = 6, 4; R = Pr-i, 5) were treated with O-2. Nevertheless, when [Mn(II)(8)(mu(4)-O)(2)((O2CNPr2)-Pr-i)(12)], 6, prepared in situ by reaction of 5 with water (Mn/H2O molar ratio = 4), was reacted with O-2, complete oxidation occurred to a product where manganese showed an average. oxidation number III, [Mn(III)(4)(O)(3) ((O2CNPr2)-Pr-i)(6)](y), 10. The product [Mn(II)(6)Mn(III)(2)(mu(4)-O)(2)(mu(3)-O)((O2CNPr2)-Pr-i)(12)], 11, obtained by partial oxidation of 6 by 02, has been characterised by X-ray diffraction methods. (C) 2013 Elsevier Ltd. All rights reserved.