dichloro(1-allyl-3-(2-pyridyl)thiourea)palladium(II) | 1351938-25-4

• 英文名称: dichloro(1-allyl-3-(2-pyridyl)thiourea)palladium(II)
• CAS: 1351938-25-4
• 化学式: C₉H₁₁Cl₂N₃PdS
• 分子量: 370.598
• InChiKey: ANXPHNMGKHRGKG-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

• 作为产物：
  描述：

  1-烯丙基-3-(2-吡啶)硫代脲 、 palladium dichloride 在 HCl 作用下， 以 乙醇 为溶剂， 以81%的产率得到dichloro(1-allyl-3-(2-pyridyl)thiourea)palladium(II)
  参考文献：
  名称：

  Palladium(II) complexes with 1-allyl-3-(2-pyridyl)thiourea: Synthesis and spectroscopic characterization

  摘要：

  New Pd(II) complexes with 1-allyl-3-(2-pyridyl)thiourea (APTU) of the formulas [Pd(C(9)H(11)N(3)S)Cl(2)] (I) and [Pd(C(9)H(11)N(3)S)(2)]Cl(2) (II) were obtained and examined by UV-Vis, IR, and 1H NMR spectroscopy. The conditions for the complexation reactions were optimized. The instability constants and molar absorption coefficients of these complexes were calculated. Comparison of the characteristic bands in the UV-Vis and IR spectra of the complexes and free APTU revealed that the ligand in both complexes is coordinated to the metal atom in the thione form in the bidentate chelating mode through the S atom of the thiourea group and the pyridine N atom. In the UV-Vis spectra of the complexes, the charge transfer bands (pi -> pi* Py) and n -> pi* (C=N(Py)), (C=S) experience hypsochromic shifts by 450-470 cm(-1) caused by the coordination of APTU to the metal ion, which gives rise to ligand-metal charge-transfer bands (C=N(Py) -> Pd, n -> pi* (C=S)) and (SPd). The protons in the 6-, 4-, and 3-positions of the pyridine ring and the thiourea NH proton in the chelate ring are most sensitive to the complexation.

  DOI：

  10.1134/s0036023611110222