trans-Pt(PEt₃)₂(Br)(1-naphthyl) | 1427001-23-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: trans-Pt(PEt₃)₂(Br)(1-naphthyl)
• 英文别名: 1H-naphthalen-1-ide;platinum(2+);triethylphosphane;bromide
• CAS: 1427001-23-7
• 化学式: C₂₂H₃₇BrP₂Pt
• 分子量: 638.467
• InChiKey: OFYZEVPFFDLHQL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trans-Pt(PEt₃)₂(Br)(1-naphthyl) 、 溴 以 四氯化碳 为溶剂， 反应 0.5h， 以100%的产率得到trans-Pt(PEt3)2(Br)3(1-naphthyl)
  参考文献：
  名称：

  High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes

  摘要：

  Pt(IV) complexes trans-Pt(PEt3)(2)(R)(Br)(3) (R = Br, aryl and polycyclic aromatic fragments) photoeliminate molecular bromine with quantum yields as high as 82%. Photoelimination occurs both in the solid state and in solution. Calorimetry measurements and DFT calculations (PMe3 analogs) indicate endothermic and endergonic photoeliminations with free energies from 2 to 22 kcal/mol of Br-2. Solution trapping experiments with high concentrations of 2,3-dimethyl-2-butene suggest a radical-like excited state precursor to bromine elimination.

  DOI：

  10.1021/ic4004998
• 作为产物：
  描述：

  trans-Pt(PEt3)2(Br)3(1-naphthyl) 在 1-己烯 作用下， 以 二氯甲烷 为溶剂， 生成 trans-Pt(PEt₃)₂(Br)(1-naphthyl)
  参考文献：
  名称：

  High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes

  摘要：

  Pt(IV) complexes trans-Pt(PEt3)(2)(R)(Br)(3) (R = Br, aryl and polycyclic aromatic fragments) photoeliminate molecular bromine with quantum yields as high as 82%. Photoelimination occurs both in the solid state and in solution. Calorimetry measurements and DFT calculations (PMe3 analogs) indicate endothermic and endergonic photoeliminations with free energies from 2 to 22 kcal/mol of Br-2. Solution trapping experiments with high concentrations of 2,3-dimethyl-2-butene suggest a radical-like excited state precursor to bromine elimination.

  DOI：

  10.1021/ic4004998