CpRu(CO)Cl(η2-cyclooctene) | 1375150-41-6

• 英文名称: CpRu(CO)Cl(η2-cyclooctene)
• CAS: 1375150-41-6
• 化学式: C₁₄H₁₉ClORu
• 分子量: 339.827
• InChiKey: ZIDVMZUIAFAANL-SQDRRJMKSA-M

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：

  四氢呋喃 、 顺-环辛烯 、 (η(5)-cyclopentadienyl)dicarbonylchlororuthenium(II) 以 四氢呋喃 、 环己烷 为溶剂， 生成 CpRu(CO)Cl(η2-cyclooctene)
  参考文献：
  名称：

  Time-Resolved Infrared Spectroscopy Studies of Olefin Binding in Photogenerated CpRu(CO)X (X = Cl, I) Transients

  摘要：

  The mechanism and energetics of ligand (L) substitution (L = THF, cyclopentene, cyclohexene, cyclooctene) from photogenerated CpRu-(CO)(X)L (X = Cl, I) complexes were studied using time-resolved infrared spectroscopy. The reactions proceed through a dissociative mechanism, and the Ru-L binding enthalpies were estimated. The trend in the bond enthalpies, Ru-(eta(2)-cyclooctene) approximate to Ru-(eta(2)-cyclopentene) > Ru (eta(2)-cyclohexene), is correlated with the strain energy of the cycloalkene ring. For all ligands investigated, CpRu(CO)(Cl)-L binding enthalpies were lower than those for the analogous CpMn(CO)(2)-L and BzCr(CO)(2)-L complexes. DFT calculations indicate that the lower binding enthalpy for the Ru-L complexes is due to a greater reorganizational energy for the CpRu(CO)Cl fragment as it adopts a configuration suitable for interaction with the ligand.

  DOI：

  10.1021/om300197b