4'-(5-p-bromophenyl-pyrimid-2-yl)-2,2':6',6''-terpyridine | 929894-94-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4'-(5-p-bromophenyl-pyrimid-2-yl)-2,2':6',6''-terpyridine
• 英文别名: 5-(4-Bromophenyl)-2-(2,6-dipyridin-2-ylpyridin-4-yl)pyrimidine
• CAS: 929894-94-0
• 化学式: C₂₅H₁₆BrN₅
• 分子量: 466.34
• InChiKey: IQMFIJOLZKBMSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 4'-(5-p-bromophenyl-pyrimid-2-yl)-2,2':6',6''-terpyridine 、 trichloro(4-(9-anthryl)-2,2':6',6''-terpyridine)ruthenium(III) monohydrate 在 silver nitrate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到[(4'-(9-anthryl)-2,2':6',2''-terpyridyl)(4'-(5-(p-bromophenyl)pyrimid-2-yl)-2,2':6',2''-terpyridyl)ruthenium(II)] hexafluorophosphate
  参考文献：
  名称：

  The multichromophore approach: A case of temperature controlled switching between single and dual emission in Ru(II) polypyridyl complexes

  摘要：

  A new series of ruthenium(II) complexes, based on 4'-(9-anthryl)-2,2':6',2"-terpyridine (an-tpy), have been synthesized from the Ru(III) precursor (an-tpy)RUCl3 (4). These new Ru(II) complexes, [(an-tpy)Ru(tpy-pm-R)) (R = H, 3a; Cl, 3b; phenyl, 3c; p-bromophenyl, 3d), have extended pi-conjugation through the 5'-substituted pyrimidyl group, and have been characterized by analytical and spectroscopic methods, and X-ray single crystal structure determination for 3b and 3d. Luminescence lifetime measurements have shown that the anthryl chromophore greatly increases room temperature (r.t.) excited-state lifetime, even though it is not directly connected to the ligand involved in the metal-to-ligand charge transfer ((MLCT)-M-3) emitting state. This result demonstrates that an equilibrium is established between the anthryl triplet state ((3)an) and the (MLCT)-M-3 state even though the two chromophores are physically separated by more than one nanometer. At low temperature in rigid matrix, such equilibrium does not take place and emission arises from both (3)an and (MLCT)-M-3 excited states. The temperature dependence of the excited-state equilibration induces a temperature switch from single (room temperature) to dual (77 K) emission behavior. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.06.003