[Ru(η6-p-cymene)(1,3,5-triaza-7-phosphaadamantane(+1H))Cl2]PF6 | 1017591-99-9

• 英文名称: [Ru(η6-p-cymene)(1,3,5-triaza-7-phosphaadamantane(+1H))Cl2]PF6
• CAS: 1017591-99-9
• 化学式: C₁₆H₂₇Cl₂N₃PRu*F₆P
• 分子量: 609.324
• InChiKey: GPCMHNFKZLZPRY-UHFFFAOYSA-M

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：

  盐酸 、 sodium hexaflorophosphate 、 dichlororuthenium(II) (p-cymene)(1,3,5-triaza-7-phosphaadamantane) 以 甲醇 、 水 为溶剂， 以88.2%的产率得到[Ru(η6-p-cymene)(1,3,5-triaza-7-phosphaadamantane(+1H))Cl2]PF6
  参考文献：
  名称：

  PGSE NMR Studies on RAPTA Derivatives: Evidence for the Formation of H-Bonded Dicationic Species

  摘要：

  The self-aggregation tendency of RAPTA complexes {[Ru(eta(6)-p-cymene){PTA(-R)}Cl-2]X, R = H (1BPh(4) and 1PF(6)) and Me (2BPh(4) and 2OTf), and [Ru(eta(6)-p-cymene)(PTA)(2)Cl]X (3BPh(4) and 3BF(4))} in acetone-d(6) was investigated by means of diffusion NMR spectroscopy. On increasing the concentration, the protonated species (1X) undergoes intercationic self-aggregation driven by hydrogen bonding that leads to the formation of 1(2)(2+) dications and a small amount of 1(2)X(+) ion triples.

  DOI：

  10.1021/om701131s