[RhCl(acetonitrile)(2,5-diethyl-3,4-diphenylcyclopentadienone)]2 | 1078648-63-1

• 英文名称: [RhCl(acetonitrile)(2,5-diethyl-3,4-diphenylcyclopentadienone)]2
• CAS: 1078648-63-1
• 化学式: C₄₆H₄₆Cl₂N₂O₂Rh₂
• 分子量: 935.6
• InChiKey: SHBRWXAWGHFZSB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [RhCl(2,5-diethyl-3,4-diphenylcyclopentadienone)]3 、 乙腈 以 乙腈 为溶剂， 生成 [RhCl(acetonitrile)(2,5-diethyl-3,4-diphenylcyclopentadienone)]2
  参考文献：
  名称：

  The Enigmatic Nature of Rh^ICl(cyclopentadienone) Complexes: Dimers, Trimers, and Tetramers

  摘要：

  Although (RhCl)-Cl-I(cyclopentadienone) complexes have been known for more than 40 years, structural data were so far not available. We have investigated the complexes [RhCl(tetraphenylcyclopentadienone)] (1), [RhCl(2,5-diethyl-3,4-diphenylcyclopentadienone)](n) (4), and [RhCl(phencyclone)](n) (5) by single-crystal X-ray crystallography. Contrary to what has been observed for simple olefin complexes such as [RhCl(1,5-cyclooctadiene)](2), they crystallize as trimers (4 and 5) or tetramers (1), in which the RhCl(cyclopentadienone) fragments are aggregated via Rh-(mu-Cl) and Rh-(mu-OC) bonds. When crystallized from acetonitrile, however, complex 4 was found to form the dimeric adduct [Rh(mu-Cl)(CH3CN)(2,5-diethyl-3,4-diphenylcyclopentadienone)](2) (6), whereas the phencyclone complex gave an ionic structure (7) resulting from chloride transfer. In solution, all complexes form solvent- and concentration-dependent dynamic equilibria.

  DOI：

  10.1021/om800671x