6,6'-di(2''-thienyl)-4,4'-bipyrimidine | 954379-18-1

• 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: 6,6'-di(2''-thienyl)-4,4'-bipyrimidine
• 英文别名: th2bpm；4-Thiophen-2-yl-6-(6-thiophen-2-ylpyrimidin-4-yl)pyrimidine
• CAS: 954379-18-1
• 化学式: C₁₆H₁₀N₄S₂
• 分子量: 322.414
• InChiKey: VPIIYUHYSAWFAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 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：
  108
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 顺-双(2,2-二吡啶)二氯化钌(II) 水合物 、 6,6'-di(2''-thienyl)-4,4'-bipyrimidine 在 potassium nitrate 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 以55%的产率得到[Ru(bpy)2(th2bpm)](PF6)2
  参考文献：
  名称：

  Synthesis and properties of 6,6′-dithienyl-4,4′-bipyrimidine and its hetero- and homo-leptic Ru(II) complexes

  摘要：

  Hetero- and homo-leptic Ru(II) complexes of a new 4,4'-bipyrimidine ligand, th(2)bpm (6,6'-di(2 ''-thienyl)-4,4'-bipyrimidine), have been synthesized and characterized. The parent ligand th2bpm has electron rich thiophene units on the periphery of a bidentate ligand which is capable of binding to metal ions. The heteroleptic complex of th(2)bpm [Ru(bpy)(2)th(2)bpm](2+) (bpy = 2,2'-bipyridine) exhibits a Ruto-bpm metal-to-ligand charge transfer (MLCT) absorption centered at 547 nm and a Ru-to-bpy MLCT absorption centered at 438 nm. The assignment of the low energy absorption is supported by the relative ease of electrochemical reduction of the new complex as compared to [Ru(bpy)(3)](2+). The homoleptic complex, [Ru(th(2)bpm)(3)](2+), exhibits a Ru-to-bpm MLCT absorption at slightly higher energy (544 nm). Both complexes are emissive at room temperature in fluid solution and 5 is one of the lowest energy emitters based on trisbidentate Ru(II) complexes known (lambda(max) = 770 nm). The luminescence spectra is red-shifted compared to [Ru(bpy)(3)](2+) and this effect is ascribed to the delocalization in the acceptor ligand. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.06.025