trans-[Mn(1,4,8,11-tetraazacyclotetradecane)(NCBPh3)2](CF3SO3) | 1176309-87-7

• 英文名称: trans-[Mn(1,4,8,11-tetraazacyclotetradecane)(NCBPh3)2](CF3SO3)
• CAS: 1176309-87-7
• 化学式: CF₃O₃S*C₄₈H₅₄B₂MnN₆
• 分子量: 940.627
• InChiKey: GONLKWWPRQZGKT-UHFFFAOYSA-M

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：

  三苯基硼烷 、 trans-[Mn(1,4,8,11-tetraazacyclotetradecane)(H2O)2](CF3SO3)3*H2O 、 potassium cyanide 以 乙醇 、 水 为溶剂， 以38%的产率得到trans-[Mn(1,4,8,11-tetraazacyclotetradecane)(NCBPh3)2](CF3SO3)
  参考文献：
  名称：

  Magnetostructural examination of Mn(III) complexes [Mn(cyclam)X2]+ with strong axial ligands

  摘要：

  Three novel Mn(III) cyclam complexes, [Mn(cyclam)(NCBH3)(2)](CF3SO3), [Mn(cyclam)(NCBPh3)(2)](CF3SO3), and [Mn(cyclam)(NCSe)(2)](CF3SO3) center dot H2O, have been synthesized. These complexes are in the high-spin state between 4 and 350 K, and show large zero-field splittings. The crystal structure of [Mn(cyclam)(NCBH3)(2)](CF3SO3) was determined where the axial elongation of Mn-N bonds is found to be the largest among the homologue complexes. Ligand field in the [Mn(cyclam)X-2](+) complex series was examined by angular-overlap model calculation. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.02.013