trichloro(3-phenylpyridine)gold(III) | 1089146-45-1

• 英文名称: trichloro(3-phenylpyridine)gold(III)
• 英文别名: AuCl3(3Ph-py)
• CAS: 1089146-45-1
• 化学式: C₁₁H₉AuCl₃N
• 分子量: 458.525
• InChiKey: XLLIMDHXBULNCI-UHFFFAOYSA-K

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：

  盐酸 、 trichloro(3-phenylpyridine)gold(III) 在 CH₃SO₃H 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 tetrachloroaurate(III)(1-)
  参考文献：
  名称：

  Displacement of Neutral Nitrogen Donors by Chloride in AuCl ₃ (3R‐py) (3R‐py = meta ‐Substituted Pyridine): Comparison between meta ‐ and para ‐Substituted Pyridines by Kinetics and DFT Calculations

  摘要：

  AbstractThe kinetics of the process AuCl3(3R‐py) + Cl– → AuCl4– + 3R‐py (3R‐py = one of a number of meta‐substituted pyridines covering a wide range of basicity) have been studied in methanol at 25 °C. The reactions obey the usual two‐term rate law observed in the substitution reactions of square‐planar complexes. The second‐order rate constants, k2, are very sensitive to the nature of the leaving group and plots of log k2 against the pKa of the conjugate acids are linear with the same slope of ca. –0.6 already found for para‐substituted pyridines (4R‐py). Until now the two groups of bases have been considered to behave in the same manner in their displacement from AuIII and PtII by various nucleophiles but, on the contrary, the reactivity of the two classes of N donors is slightly different and follows the order: 4R‐py > 3R‐py. This kinetic result is explained on the basis of an energetic difference between the frontier orbitals of the AuCl3(3R‐py) and AuCl3(4R‐py) derivatives.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

  DOI：

  10.1002/ejic.200700597
• 作为产物：
  描述：

  3-苯基吡啶 、 potassium tetrachloroaurate(III) dihydrate 以 水 为溶剂， 以95%的产率得到trichloro(3-phenylpyridine)gold(III)
  参考文献：
  名称：

  Displacement of Neutral Nitrogen Donors by Chloride in AuCl ₃ (3R‐py) (3R‐py = meta ‐Substituted Pyridine): Comparison between meta ‐ and para ‐Substituted Pyridines by Kinetics and DFT Calculations

  摘要：

  AbstractThe kinetics of the process AuCl3(3R‐py) + Cl– → AuCl4– + 3R‐py (3R‐py = one of a number of meta‐substituted pyridines covering a wide range of basicity) have been studied in methanol at 25 °C. The reactions obey the usual two‐term rate law observed in the substitution reactions of square‐planar complexes. The second‐order rate constants, k2, are very sensitive to the nature of the leaving group and plots of log k2 against the pKa of the conjugate acids are linear with the same slope of ca. –0.6 already found for para‐substituted pyridines (4R‐py). Until now the two groups of bases have been considered to behave in the same manner in their displacement from AuIII and PtII by various nucleophiles but, on the contrary, the reactivity of the two classes of N donors is slightly different and follows the order: 4R‐py > 3R‐py. This kinetic result is explained on the basis of an energetic difference between the frontier orbitals of the AuCl3(3R‐py) and AuCl3(4R‐py) derivatives.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

  DOI：

  10.1002/ejic.200700597