trans-[Mn(cyclam)I2]I | 443294-34-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: trans-[Mn(cyclam)I2]I
• 英文别名: trans-cyclamdiiodomanganese(III) iodide
• CAS: 443294-34-6
• 化学式: C₁₀H₂₄I₂MnN₄*I
• 分子量: 635.979
• InChiKey: HBMRZNOSVQVLBV-UHFFFAOYSA-K

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：

  sodium iodide 、 trans-[Mn(1,4,8,11-tetraazacyclotetradecane)(H2O)2](CF3SO3)3*H2O 以 水 为溶剂， 以97%的产率得到trans-[Mn(cyclam)I2]I
  参考文献：
  名称：

  Manganese (III) cyclam complexes with aqua, iodo, nitrito, perchlorato and acetic acid/acetato axial ligands

  摘要：

  The syntheses, structures and magnetic properties of five new manganese (III) cyclam complexes, trans-[Mn(cyclam)(OH2)(2)]-(CF3SO3)(3)center dot-H2O, trans-[Mn(cyclam)I-2]I, trans-[Mn(cyclam)(ONO)(2)]ClO4, trans-[Mn(cyclam)(OClO3)(2)]ClO4 and trans-[Mn(cyclam) (CH3COO)(CH3COOH)](ClO4)(2), are reported. Cyclam is the tetradentate amine ligand 1,4,8,11-tetraazacyclotetradecane. The complexes all exhibit pronounced tetragonal elongation of the coordination octahedron with the four cyclam nitrogens occupying the four equatorial positions. The magnetic properties are consistent with the formulation of the complexes as high-spin d(4) systems. trans-[Mn(cyclam)(OH2)(2)](CF3SO3)(3)center dot H2O is shown to be a convenient starting material for the syntheses of trans cyclam complexes. [Mn(cyclam)(CH3COO)(CH3COOH)](ClO4)(2) exhibits extremely short intermolecular hydrogen bonds resulting in a pseudo-chain structure. The tilt of the axial ligands with respect to the equatorial plane containing the manganese and the cyclam nitrogen atoms is discussed. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.10.005

文献信息

• Is the Axial Zero-Field Splitting Parameter of Tetragonally Elongated High-Spin Manganese(III) Complexes Always Negative?
  作者：Susanne Mossin、Høgni Weihe、Anne-Laure Barra

  DOI：10.1021/ja012574p

  日期：2002.7.1

  The positive axial zero-field splitting parameter D relevant for the S = 2 ground state of [Mn(cyclam)I2]I (cyclam = 1,4,8,11-tetraazacyclotetradecane) is interpreted using the valence bond configuration interaction model which explicitly considers the covalency of the manganese-iodide bond.

  与 [Mn(cyclam)I2]I (cyclam = 1,4,8,11-四氮杂环十四烷) 的 S = 2 基态相关的正轴向零场分裂参数 D 使用价键构型相互作用模型进行解释，该模型明确考虑锰碘键的共价关系。