pdpp | 1201817-51-7

• 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: pdpp
• 英文别名: 4-(pyrrol-2-yl)-2,6-dipyrazinylpyridine；2-[6-pyrazin-2-yl-4-(1H-pyrrol-2-yl)pyridin-2-yl]pyrazine
• CAS: 1201817-51-7
• 化学式: C₁₇H₁₂N₆
• 分子量: 300.322
• InChiKey: UDIZLYFSWVJLIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 水合三氯化钌 、 pdpp 在 AgBF₄ 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到[ruthenium(II)(4-(pyrrol-2-yl)-2,6-dipyrazinylpyridine)2](PF6)2
  参考文献：
  名称：

  Pyrrole-substituted tridentate complexes of Ru(II): Spectroscopy, electrochemistry, photosensitization and the role of orbital mixing

  摘要：

  One-step syntheses are reported of 4'-(pyrrol-2-yl)-2,2'; 6',2 ''-terpyridine, 4-(pyrrol-2-yl)-2,6-di(pyrazol-2-yl)pyridine and of their homoleptic Ru(II) complexes, in good to very good yields. DFT calculations con. firmed that the pyrrole rings lay coplanar with the tridentate cores and constituted effective pi-donors, but also showed that the properties of the Ru(II) complexes defied classical analyses based on localized metal- or ligand-centred orbitals. The low-potential electrochemical oxidations led to electropolymerization but were not purely pyrrole-centred. The low-energy electronic spectral absorptions were not purely metal-to-ligand charge transfer (MLCT) in character, but resulted from mixed metal- to-ligand and intraligand transitions. The complexes' photosensitization abilities showed that the pyrrole groups were beneficial to the survival of the photoexcited states, albeit not as much as p-tolyl groups. (c) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.07.035