trans-(1,4,8,11-tetraazacyclotetradecane)dichloroiron(III) tetrachloroiron (III) | 198650-54-3

• 英文名称: trans-(1,4,8,11-tetraazacyclotetradecane)dichloroiron(III) tetrachloroiron (III)
• 英文别名: trans-dichloro(1,4,8,11-tetraazacyclotetradecane)iron(III)tetrachloroiron(III)
• CAS: 198650-54-3
• 化学式: C₁₀H₂₄Cl₂FeN₄*Cl₄Fe
• 分子量: 524.739
• InChiKey: UCGGFORWWBUENJ-UHFFFAOYSA-H

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

• 作为产物：
  描述：

  iron(II) chloride 、 1,4,8,11-四氮杂环十四烷 在 aq. HCl 、 air 作用下， 以 甲醇 为溶剂， 以90%的产率得到cis-[Fe(cyclam)Cl₂]Cl
  参考文献：
  名称：

  一锅合成，理化特性和顺式和反式（1,4,8,11-四氮杂环十四烷）-二氯铁（III）配合物的晶体结构†

  摘要：

  描述了顺式和反式-[Fe（cyclam）Cl 2 ] +（cyclam = 1,4,8,11-四氮杂环十四烷）的合成和表征。这些配合物的几何构型分配是根据它们在800–900 cm –1区域的红外光谱确定的。另外，通过X射线衍射确定顺式和反式衍生物的分子结构。这两个复合体均具有ad 5电子系统，即顺式和反式物种分别处于高自旋和低自旋构型。这两种异构体通过电化学完全表征，并且通过循环伏安法在反应混合物中同时观察到它们。这项研究表明，两种还原的异构体对双氧的反应性是不同的，并且在某些溶剂中未观察到氧化物种的形成。

  DOI：

  10.1039/a702775c

文献信息

• Determination of the number of unpaired electrons in metal-complexes. A comparison between the Evans’ method and susceptometer results
  作者：K. De Buysser、G.G. Herman、E. Bruneel、S. Hoste、I. Van Driessche

  DOI：10.1016/j.chemphys.2005.04.022

  日期：2005.8

  1,4,8,11-Tetraazacyclotetradecane (cyclam) is widely known as an ideal ligand for chelating heavy metal ions such as Ni2+ and Cu2+. In this work, the consequences of chelation on the preference for high spin or low spin configuration were investigated for Fe3+, Ni2+, Cu2+ and Cr3+. Two methods were used to determine the number of unpaired electrons in the complex. First the dependence of magnetic susceptibility change of the crystalline powder as a function of temperature increase was measured. In the second case, the Evans' method was used to obtain information about the number of impaired electrons in the dissolved complexes. In some cases, such as Fe3+ and Ni2+, a discrepancy between the results obtained with the two methods was noticed. The results are influenced by the geometry of the complex, the aggregation state and the dimensions of the ions. (C) 2005 Elsevier B.V. All rights reserved.