[Ru(dppe)(CO)(O3SCF3)(H2O)2](O3SCF3) | 247139-40-8

• 英文名称: [Ru(dppe)(CO)(O3SCF3)(H2O)2](O3SCF3)
• CAS: 247139-40-8
• 化学式: CF₃O₃S*C₂₈H₂₈F₃O₆P₂RuS
• 分子量: 861.676
• InChiKey: ARASWKPVHFZPDX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  all-cis-[Ru(dppe)(CO)2(O3SCF3)2]*1.2H2O 、 水 以 氘代氯仿 为溶剂， 生成 [Ru(dppe)(CO)(O3SCF3)(H2O)2](O3SCF3)
  参考文献：
  名称：

  Synthesis and Structures of Organometallic Aqua Complexes of Ruthenium(II)

  摘要：

  Treatment of all-cis-Ru(dppe)(CO)(2)Cl-2 (dppe = Ph2PCH2CH2PPh2) with 2 equiv of AgOSO2CF3 yields the bis(triflate) complex Ru(dppe)(CO)(2)(OSO2CF3)(2) (1), which has been characterized by NMR spectroscopy and X-ray crystallography. Exposure of solid 1 to atmospheric moisture gives the carbonyl aqua complex Ru(dppe)(CO)(H2O)(OSO2CF3)(2) (2). The X-ray structure of 2 shows both intra- and intermolecular hydrogen bonding between the coordinated water and,triflates. The F-19 NMR spectra of 1 and 2 display coupling between the triflate groups; F-19-F-19 NOESY suggests that this arises from both through-bond and through-space coupling. The reaction of 1 with 10 equiv of water results in the rapid formation of a species assigned as the cationic diaqua complex [Ru(dppe)(CO)(H2O)(2)(OSO2CF3)][OSO2CF3] (3). Over a longer period of time, further reaction occurs to form the triaqua carbonyl complex [Ru(dppe)(CO)(H2O)(3)][OSO2CF3](2) (4), which has also been characterized by X-ray crystallography. The structure of 4 indicates that all three water ligands participate in hydrogen bonding. Complex 4 is unstable in the absence of water, re-forming a mixture of 1 and 2.

  DOI：

  10.1021/om990411s