1,4-bis(2-(7-(4-bromophenyl)-1,10-phenanthrolin-4-yl)ethyl)benzene | 674283-20-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1,4-bis(2-(7-(4-bromophenyl)-1,10-phenanthrolin-4-yl)ethyl)benzene
• CAS: 674283-20-6
• 化学式: C₄₆H₃₂Br₂N₄
• 分子量: 800.595
• InChiKey: YAZMOHCBWYGMJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.31
• 重原子数：
  52.0
• 可旋转键数：
  8.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  51.56
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  {RuCl2(NCMe)4} 、 1,4-bis(2-(7-(4-bromophenyl)-1,10-phenanthrolin-4-yl)ethyl)benzene 以 1,2-二氯乙烷 为溶剂， 生成
  参考文献：
  名称：

  Long‐Lived MLCT Excited States‐Ru ^II Complexes with a Helical Bis‐Phen Ligand

  摘要：

  AbstractThe synthesis of a new RuII complex [Ru(L1)(4,7‐dpphen)]2+, bearing a tetradentate bis‐1,10‐phenanthroline ligand L1, is described. X‐ray crystal structure analysis shows that the tetradentate ligand L1 coils around the metal and occupies both axial and two of the equatorial positions of the complex. 1H NMR studies clearly indicate that the complex has C2 symmetry in solution. The room temperature luminescence properties of [Ru(L1)(4,7‐dpphen)]2+ have been studied, as have those of the related complex [Ru(L2)(4,4′‐dmbp)]2+. For both complexes, the luminescence quantum yields and lifetimes are three to ten times higher than those of [Ru(bpy)3]2+. These unusual results are explained by the geometrical constraints imposed by the tetradentate ligands L1 and L2 in their respective complexes, resulting in an effective decoupling between the 3MLCT and 3MC excited states. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200300161
• 作为产物：
  描述：

  4-甲基-8-氨基喹啉 在 磷酸 、 砷酸、原砷酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 1,4-bis(2-(7-(4-bromophenyl)-1,10-phenanthrolin-4-yl)ethyl)benzene
  参考文献：
  名称：

  Long‐Lived MLCT Excited States‐Ru ^II Complexes with a Helical Bis‐Phen Ligand

  摘要：

  AbstractThe synthesis of a new RuII complex [Ru(L1)(4,7‐dpphen)]2+, bearing a tetradentate bis‐1,10‐phenanthroline ligand L1, is described. X‐ray crystal structure analysis shows that the tetradentate ligand L1 coils around the metal and occupies both axial and two of the equatorial positions of the complex. 1H NMR studies clearly indicate that the complex has C2 symmetry in solution. The room temperature luminescence properties of [Ru(L1)(4,7‐dpphen)]2+ have been studied, as have those of the related complex [Ru(L2)(4,4′‐dmbp)]2+. For both complexes, the luminescence quantum yields and lifetimes are three to ten times higher than those of [Ru(bpy)3]2+. These unusual results are explained by the geometrical constraints imposed by the tetradentate ligands L1 and L2 in their respective complexes, resulting in an effective decoupling between the 3MLCT and 3MC excited states. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200300161