9-[4-(4,4,5,5-tetramethyl-1-yl-oxyimidazolidin-2-yl)phenyl]-10-(4-pyridyl)anthracene | 945425-68-3

• 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: 9-[4-(4,4,5,5-tetramethyl-1-yl-oxyimidazolidin-2-yl)phenyl]-10-(4-pyridyl)anthracene
• CAS: 945425-68-3
• 化学式: C₃₂H₂₈N₃O
• 分子量: 470.594
• InChiKey: WTFUHNPSWNOUNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  42.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  copper(II) hexafluoroacetylacetonate hydrate 、 9-[4-(4,4,5,5-tetramethyl-1-yl-oxyimidazolidin-2-yl)phenyl]-10-(4-pyridyl)anthracene 、 甲苯 以 正庚烷 、 甲苯 为溶剂， 生成 Cu(II)(hfac)2(9-[4-(4,4,5,5-tetramethyl-1-yl-oxyimidazolidin-2-yl)phenyl]-10-(4-pyridyl)anthracene)2*0.5(toluene)
  参考文献：
  名称：

  The metal complexes using organic ligands with photo-excited high-spin states

  摘要：

  In this work, 4-pyridyl-phenylanthracene-iminonitroxide radical 2 was synthesized, which can make the coordination to metal ions. It was confirmed by the time-resolved ESR experiments that 2 has a photo-excited quartet (S = 3/2) high-spin state. Cu(II)(hfaC)(2)(2)(2) and Mn(II)(hfac)(2)(2)(2) were synthesized by using 2 as a ligand. Their magnetic properties on the ground states were analyzed by three-spin-cluster model S-1 - S-M - S-2 (S-1 = S-2 = S-M = 1/2 for Cu(II)(hfac)(2)(2)(2) and S-1 = S-2 = 1/2, S-M = 5/2 for Mn(II)(hfac)(2)(2)(2)). The exchange interactions (J/k(B)) between 2 and the metal ions were very weak (J/k(B)S were ferromagnetic for Cu(II)(hfac)(2)(2)(2) and antiferromagnetic for Mn(II)(hfaC)(2)(2)(2)). The molecular orbital calculations of 2 have suggested the strong interaction between the paramagnetic center of the metal ions and the photo-excited quartet high-spin state. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.10.021