3-pyridinyl-phenylanthracene-(nitronylnitroxide) | 944798-04-3

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 3-pyridinyl-phenylanthracene-(nitronylnitroxide)
• CAS: 944798-04-3
• 化学式: C₃₂H₂₈N₃O₂
• 分子量: 486.593
• InChiKey: UOVIXNUCHMURLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  37.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  62.1
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  copper(II) hexafluoroacetylacetonate hydrate 、 3-pyridinyl-phenylanthracene-(nitronylnitroxide) 、 甲苯 以 正庚烷 、 甲苯 为溶剂， 生成 [Cu(II)(hfac)2(3-pyridinyl-phenylanthracene-(nitronylnitroxide))2]*x toluene
  参考文献：
  名称：

  Design, synthesis and physical properties of the metal complexes using π-radical with photo-excited high-spin state as a ligand

  摘要：

  Two pi-radicals, 3-pyridinyl-phenylanthracene(iminonitroxide) (3) and 3-pyridinyl-phenylanthracene-(nitronylnitroxide) (4) were designed as candidates of the ligand for the metal complexes to clarify the exchange interactions between the paramagnetic centers of the metal ions and the photo-excited high-spin states of the purely organic pi-radical. Compounds 3 and 4 were synthesized and their magnetic properties were examined, showing weak antiferromagnetic interactions, theta = -1.5 K for 3 and -0.7 K for 4. The photo-excited states of 3 and 4 were investigated by time-resolved ESR and clarified that both pi-radicals have the quartet (S = 3/2) high-spin states as their lowest photo-excited states. Two metal complexes [Fe(III)(L)(4)] center dot (BPh4) (Low spin) (LH2 = N,N-bis(1-hydroxy-2-benzyliden)-1,7diamino-4-azaheptane) and [Cu(II)(hfaC)(2)(4)(2)] using 4 were prepared. Their magnetic behaviors are well analyzed with the Bleaney-Bowers model with J/k(B) = - 0.86 K and three S = 1/2 spin cluster model with J/k(B) = -1.0 K, respectively, showing weak antiferromagnetic interactions between the paramagnetic centers of the metal ions and the pi-radical in the ground state. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.09.051