| 162048-13-7

• CAS: 162048-13-7
• 化学式: CH₂Cl₂*C₁₄H₁₅Cl₇PRe₂*C₂₄H₂₀As
• 分子量: 1303.11
• InChiKey: RDAJVVUSFHXEDW-FOUUIQFESA-G

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：

  Benzyl-methyl-phenyl-phosphin 在 HCl 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and crystal structure of the unique chiral anion [Re2Cl7PBzMePh]− and the direct determination of its δ-bond energy by molecular modelling

  摘要：

  The quadruply bonded chiral anion [Re(2)Cl(2)PBzMePh](-) (Bz=CH(2)Ph) was synthesized and its crystal structure was determined. It crystallized in space group P (1) over bar with unit cell dimensions a=10.677(2), b=12.220(2), c=18.220(4) Angstrom, alpha=85.66(2>, beta=75.98(2) and gamma= 80.07(2)degrees. The Re-Re distance was 2.2196(8) Angstrom. The average twist angle chi was 11.6 degrees. The delta-bond energy was determined by molecular modelling to be 9 kcal mol(-1) and 5% greater than the energy required to eclipse [Re2Cl8](2-).

  DOI：

  10.1016/0020-1693(94)04232-k