Cp(*)Rh(OH2)(η(1)-O2CPh)2 | 115530-54-6

• 英文名称: Cp(*)Rh(OH2)(η(1)-O2CPh)2
• CAS: 115530-54-6
• 化学式: C₂₄H₂₇O₅Rh
• 分子量: 498.381
• InChiKey: VYXVEKQSQGYGIP-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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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  Cp(*)Rh(η(2)-O2CPh)(η(1)-O2CPh) 、 水 以 丙酮 为溶剂， 生成 Cp(*)Rh(OH2)(η(1)-O2CPh)2
  参考文献：
  名称：

  Pentamethylcyclopentadienylrhodium bis-carboxylates: monohapto carboxylate coordination, dihapto carboxylate coordination, and water coordination to Cp∗Rh

  摘要：

  Reaction between [Cp*RhCl2](2) and silver carboxylates in anhydrous, non-coordinating solvents produces Cp*Rh(eta(2)-O(2)CR)(eta(1)-O(2)CR) complexes with the unusual feature of having both the eta(2) and eta(1) carboxylate ligands bound to the same metal. The benzoate complex Cp*Rh(eta(2)-O(2)CPh)(eta(1)-O(2)CPh) was characterized crystallographically and its structure is discussed. Cp*Rh(eta(2)-O(2)CPh)(eta(1)-O(2)CPh) was found to crystallize in the monoclinic space group P2(1)/c with a=11.658(3), b=14.574(4), c=26.248(6) Angstrom, beta=101.87(2)degrees and V=4364(2) Angstrom(3) for Z=8. These bis-carboxylate compounds are very hygroscopic, reacting with water quite readily to form the aquo complexes, Cp*Rh(OH2)(eta(1)-O(2)CR)(2). The acetate aquo complex Cp*Rh(OH2)(eta(1)-O(2)CMe)(2) was characterized crystallographically and was found to crystallize in the monoclinic space group P2(1)/c with a=8.910(2), b=12.854(4), c=14.710(3) Angstrom, beta=106.82(2)degrees and V=1612.6(7) Angstrom(3) for Z=4. The water molecule in Cp*Rh(OH2)(eta(1)-O(2)CMe)(2) was found to internally hydrogen bond to the coordinated acetate groups. The coordination of water in Cp*Rh(OH2)(eta(1)-O(2)CMe)(2) is unusual in that the Rh-O bond is perpendicular to the plane of the water molecule. The geometry of water coordination in these Cp*Rh complexes is compared with geometries found for water coordinated to other non-classical, organometallic compounds.

  DOI：

  10.1016/0020-1693(95)04793-x