trans-[manganese(III)(1,4,7,11-tetraazacyclotetradecane)(H2O)2 | 1388850-50-7

• 英文名称: trans-[manganese(III)(1,4,7,11-tetraazacyclotetradecane)(H2O)2
• 英文别名: trans-[manganese(III)(isocyclam)(H2O)
• CAS: 1388850-50-7
• 化学式: C₁₀H₂₈MnN₄O₂
• 分子量: 291.296
• InChiKey: HQGNYRIJWUECSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  trans-[manganese(III)(1,4,7,11-tetraazacyclotetradecane)Cl2]Cl*2H2O 、 水 以 水 为溶剂， 生成 trans-[manganese(III)(1,4,7,11-tetraazacyclotetradecane)(H2O)2
  参考文献：
  名称：

  Spectroscopic and electrochemical properties of mononuclear Mn(III) complex and of binuclear di-μ-oxo bridged Mn(III) and Mn(IV) complex with isocyclam

  摘要：

  trans-[Mn(III)isocyclamCl(2)]Cl center dot 2H(2)O and [(MnMnIV)-Mn-III(mu-O)(2)isocyclam(2)](ClO4)(3)center dot 2H(2)O (isocyclam = 1,4,7,11-tetraazacyclotetradecane) were synthesised and analysed. Coordination geometry of both of these complexes was estimated with IR and electronic spectroscopy as trans-pseudo-octahedral for the first one and cis-pseudo-octahedral with two oxygen bridges for the other one. Magnetic properties of complexes were characterised as high-spin and antiferromagnetic, respectively. Cyclic voltammetry measurements of neutral aqueous solutions showed the possibility of oxidation of both complexes to [(MnMnIV)-Mn-IV(mu-O)(2)isocyclam(2)](4+). Mechanism of oxidation of mononuclear complex including its isomerisation process was proposed. Formal potentials and transfer coefficients were calculated. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.04.006