[(η5-C5H5)ruthenium(II)(η6-dibenzosuberone)]PF6 | 1258298-68-8

• 英文名称: [(η5-C5H5)ruthenium(II)(η6-dibenzosuberone)]PF6
• 英文别名: Ru(η5-C5H5)(η6-dibenzosuberone)PF6
• CAS: 1258298-68-8
• 化学式: C₂₀H₁₇ORu*F₆P
• 分子量: 519.389
• InChiKey: VSMWJMFUULEOPC-UHFFFAOYSA-N

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：

  cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate 、 10,11-二氢二苯并[a,b]环庚烯-5-酮 以 二氯甲烷 为溶剂， 生成 [(η5-C5H5)ruthenium(II)(η6-dibenzosuberone)]PF6
  参考文献：
  名称：

  Polymerization of ɛ-caprolactone using ruthenium(II) mixed metallocene catalysts and isopropyl alcohol: Living character and mechanistic study

  摘要：

  A series of ruthenium(II) complexes with the general formula [Ru(eta(5)-C5H5) (eta(6)-substituted arene)](+) [PF6](-) (substituted arene = 2-phenylpyridine (1), dibenzosuberone (2) and toluene (3)), in combination with isopropyl alcohol were used for the polymerization of epsilon-caprolactone. The polymerization was found to be quantitative and controlled, with PDI in the range 1.1-1.3. By means of MALDI-ToF analyses, functionalization studies with D,L-lactide and NMR monitoring techniques, it has been found that the polymerization proceeds via a living Activated Monomer mechanism (AM) involving an eta(6)-eta(4) change of the coordination mode of the arene. These experimental results were corroborated by DFT studies. The growth of several polymer chains per ruthenium atom highlights interesting potentialities for molecular weight control and catalyst economy. The stability of the ruthenium complexes allows their recovery at the end of the polymerization, which can be viewed as a further advance in a green chemistry frame. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.06.015