η5-indenyltricarbonylruthenium tetrafluoroborate | 1105614-34-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: η5-indenyltricarbonylruthenium tetrafluoroborate
• 英文别名: carbon monoxide;2H-inden-2-ide;ruthenium(2+);tetrafluoroborate
• CAS: 1105614-34-3
• 化学式: BF₄*C₁₂H₇O₃Ru
• 分子量: 387.06
• InChiKey: VZPNQPCDJDYVAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  η5-indenyltricarbonylruthenium tetrafluoroborate 在 triethylamine 作用下， 以 二氯甲烷 为溶剂， 生成 [(η5-indenyl)Ru(CO)2H]
  参考文献：
  名称：

  Chemical, Electrochemical, and Theoretical Investigations of [(Cp)Ru(CO)₃]⁺ and [(Ind)Ru(CO)₃]⁺

  摘要：

  The complexes [(Cp)Ru(CO)(3)](+) and [(Ind)Ru(CO)(3)](+) were subjected to chemical, electrochemical, and spectroelectrochemical investigations in an attempt to gauge their similarity to [(Cp)Fe(CO)(3)](+) and [(Ind)Fe(CO)(3)](+). While the Fe complexes exhibited reversible electrochemical behavior-the indene analogue exhibiting a so-called "inverse indenyl effect"-the Ru complexes exhibited limited electrochernical reversibility, even at -30 degrees C and higher scan rates. The formation of the hydride complexes [(Cp)Ru(CO)(2)H] and [(Ind)Ru(CO)(2)H] was observed via H-1 NMR and IR. The X-ray crystal structure of [(Ind)Ru(CO)(3)](+) is presented here for the first time.

  DOI：

  10.1021/om800767g
• 作为产物：
  描述：

  一氧化碳 、 [(η5-indenyl)Ru(CO)]2(μ-CO)2 、 silver tetrafluoroborate 以 二氯甲烷 为溶剂， 以49.2%的产率得到η5-indenyltricarbonylruthenium tetrafluoroborate
  参考文献：
  名称：

  Chemical, Electrochemical, and Theoretical Investigations of [(Cp)Ru(CO)₃]⁺ and [(Ind)Ru(CO)₃]⁺

  摘要：

  The complexes [(Cp)Ru(CO)(3)](+) and [(Ind)Ru(CO)(3)](+) were subjected to chemical, electrochemical, and spectroelectrochemical investigations in an attempt to gauge their similarity to [(Cp)Fe(CO)(3)](+) and [(Ind)Fe(CO)(3)](+). While the Fe complexes exhibited reversible electrochemical behavior-the indene analogue exhibiting a so-called "inverse indenyl effect"-the Ru complexes exhibited limited electrochernical reversibility, even at -30 degrees C and higher scan rates. The formation of the hydride complexes [(Cp)Ru(CO)(2)H] and [(Ind)Ru(CO)(2)H] was observed via H-1 NMR and IR. The X-ray crystal structure of [(Ind)Ru(CO)(3)](+) is presented here for the first time.

  DOI：

  10.1021/om800767g