| 943453-90-5

• CAS: 943453-90-5
• 化学式: C₈₈H₇₆Br₂N₂O₄P₄Pd₂
• 分子量: 1722.13
• InChiKey: KSQMIYCBXAVOSR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• 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：

  tris(dibenzylideneacetone)dipalladium (0) 、 1,2-双(二苯基膦)乙烷 、 N,N'-dicyclohexyl-1,7-dibromoperylene-3,4:9,10-tetracarboxylic dianhydride 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Palladium Complexes of Perylene Diimides:  Strong Fluorescence Despite Direct Attachment of Late Transition Metals to Organic Dyes

  摘要：

  We prepared the first sigma-bonded metal complexes of widely utilized organic dyes, perylene tetracarboxylic acid diimides (PDIs). These 1,7-dipalladium PDI complexes were synthesized by C-Br oxidative addition of 1,7-dibromo-N,N'-dicyclohexyl PDI (Br2PDI) to Pd(0) phosphine complexes bearing triphenylphosphine and bischelating 1,2-bis(diphenylphosphino)ethane (dppe). The structures of Pd-PDI complexes were elucidated by single-crystal X-ray analysis. Surprisingly, despite direct attachement of two late transition metal centers, Pd-PDI systems are highly fluorescent (Phi = 0.65 and 0.22 for triphenylphosphine and dppe systems, respectively). This is rationalized in terms of weak electronic interactions between the metal centers and PDI pi-system, as revealed by TD-DFT calculations.

  DOI：

  10.1021/ic700539b