| 1227401-71-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 1227401-71-9
• 化学式: C₇₀H₆₈B₂N₂Pt
• 分子量: 1154.03
• InChiKey: OQJMENLWHOZIHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  5,5'-( p-BMes2-phenyl)2-2,2'-bpy 在 (Pt(C6H5)2(μ-SMe2)](n) n=2 or 3 作用下， 以 二氯甲烷 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  Extending π-Conjugation of Triarylborons with a 2,2-Bpy Core: Impact of Donor−Acceptor Geometry on Luminescence, Anion Sensing, and Metal Ion Binding

  摘要：

  Four new 2,2'-bipyridine-based molecules functionalized by either BMes(2)-phenyl (Mes=mesityl) or NPh2-phenyl-5,5'-(p-BMes(2)-phenyl)(2)-2,2'-bpy (5,5'-BP2bpy, 1), 4,4'-(p-BMes(2)-phenyl)(2)-2,2'-bpy (4,4'-BP2bpy, 2), 4-(p-BMes(2)-phenyl)-4'-( p-NPh2-phenyl)-2,2'-bipy (4,4'-BPNPbpy, 4), and 4,4'-(p-NPh2-phenyl)(2)-2,2'-bpy (4,4'-NP2bpy, have been synthesized. Their complexes with PtPh2 have been synthesized and fully characterized. The electronic and photophysical properties of the new molecules have been examined by electrochemical, absorption, and luminescence spectroscopic analysis and DFT calculations, which show significant differences from those of the related but smaller 2,2'-bpy derivatives functionalized directly by either BMes(2) or NPh2 groups that we reported previously. Molecules 1, 2, and 4 and their Pt(II) complexes respond to fluoride ions in both absorption and emission modes. The donor-acceptor molecule 4 and its Pt(II) complex have a distinct fluorescence/phosphorescence turn-on response toward fluoride or cyanide ions. Molecules 1, 2, 4, and 5 also respond to Zn(II) ions in both absorption and emission modes. The diboryl molecules 1 and 2 have a distinct and contrasting fluorescence response toward Zn(II) ion-turn-off for 1 and turn-on for 2-demonstrating the significant impact of molecular geometry on metal ion binding and fluorescence.

  DOI：

  10.1021/ic1004159