| 1175563-03-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1175563-03-7
• 化学式: C₂₈H₅₄N₈O₄
• 分子量: 566.788
• InChiKey: SJXJRIVNAKRDHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  40.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  111.38
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  nickel(II) perchlorate hexahydrate 、 二氯甲烷 、 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Ferromagnetic coupling of copper(II) and nickel(II) complexes with a cyclam-based paramagnetic host

  摘要：

  Bis(NN-CH2)-substituted dimethylcyclam (cyclamNN(2)) was designed and synthesized as a paramagnetic host, where NN stands for 4,4,5,5-tetramethylimidazolin-1-oxyl 3-oxide. We prepared transition-metal complexes [M(cyclamNN(2))](ClO4)(2) (M = Cu (1), Ni (2)) and investigated their metal-radial exchange couplings. The copper ion in 1 is located at the center of the cyclam cavity and one radical arm is coordinated at an axial position. Compound 1 showed ferromagnetic coupling (2J/k(B) = +44(3) K), which is ascribable to the NN-Cu coupling. Ferromagnetic coupling was also observed in 2 but the molecular structure was, unknown at present. The Curie-Weiss analysis gave the Weiss temperature (theta) of +13.5(6) K for 2. (C) 2008 Elsevier Ltd. All rights reserved

  DOI：

  10.1016/j.poly.2008.10.035