| 1189099-62-4

• CAS: 1189099-62-4
• 化学式: C₁₈H₁₄Cl₂N₄O₂Pd
• 分子量: 495.661
• InChiKey: KVBUOLFPAWJASN-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：
  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

• 作为反应物：
  描述：

  以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Single-Electron Transfer in Palladium Complexes of 1,4-Naphthoquinone-Containing Bis(pyrazol-1-yl)methane Ligands

  摘要：

  A 1,4-naphthoquinone-substituted bis(pyrazol-1-yl)methane ligand (N boolean AND N) has been synthesized and transformed into its corresponding Pd-II chelate complex [(N boolean AND N)PdCl2]. Both N boolean AND N and [(N boolean AND N)PdCl2] have been fully characterized by NMR spectroscopy, spectro-electrochemistry, and X-ray crystallography. After treatment of [(N boolean AND N)PdCl2] with NEt3, the signature of a 1,4-naphthosemiquinonate radical is visible in the UV-vis- and electron paramagnetic resonance (EPR) spectrum of the reaction mixture; the free ligand N boolean AND N does not react with NEt3 under the conditions applied. It is therefore concluded that NEt3 first reduces the Pd-II-ion of [(N boolean AND N)PdCl2] to the zero-valent state and that this reaction is followed by a single-electron transfer from the metal atom to the 1,4-naphthoquinone moiety. The complex has been specifically designed to disfavor any direct Pd-to-naphthoquinone coordination. Electron transfer thus proceeds through space or, less likely, via sigma-bonds of the ligand framework.

  DOI：

  10.1021/ic9013015
• 作为产物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 2-[1,1-Di(pyrazol-1-yl)ethyl]naphthalene-1,4-dione 以 乙腈 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Single-Electron Transfer in Palladium Complexes of 1,4-Naphthoquinone-Containing Bis(pyrazol-1-yl)methane Ligands

  摘要：

  A 1,4-naphthoquinone-substituted bis(pyrazol-1-yl)methane ligand (N boolean AND N) has been synthesized and transformed into its corresponding Pd-II chelate complex [(N boolean AND N)PdCl2]. Both N boolean AND N and [(N boolean AND N)PdCl2] have been fully characterized by NMR spectroscopy, spectro-electrochemistry, and X-ray crystallography. After treatment of [(N boolean AND N)PdCl2] with NEt3, the signature of a 1,4-naphthosemiquinonate radical is visible in the UV-vis- and electron paramagnetic resonance (EPR) spectrum of the reaction mixture; the free ligand N boolean AND N does not react with NEt3 under the conditions applied. It is therefore concluded that NEt3 first reduces the Pd-II-ion of [(N boolean AND N)PdCl2] to the zero-valent state and that this reaction is followed by a single-electron transfer from the metal atom to the 1,4-naphthoquinone moiety. The complex has been specifically designed to disfavor any direct Pd-to-naphthoquinone coordination. Electron transfer thus proceeds through space or, less likely, via sigma-bonds of the ligand framework.

  DOI：

  10.1021/ic9013015