2-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+) dihydride;trifluoromethanesulfonate | 218462-85-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+) dihydride;trifluoromethanesulfonate
• CAS: 218462-85-2
• 化学式: CF₃O₃S*C₂₀H₂₁F₂₀P₂Ru
• 分子量: 953.443
• InChiKey: ZPFMMVJRWXCIAV-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：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  2-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane;chlororuthenium(1+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene 、 三氟甲磺酸 、 氢气 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 生成 2-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+) dihydride;trifluoromethanesulfonate
  参考文献：
  名称：

  Protonation and H₂ Heterolysis Reactions of Electrophilic (η⁵-C₅R₅)Ru(dfepe)(X) (R = H, Me; X = H, OTf) Complexes

  摘要：

  Addition of excess HOSO2CF3 (HOTf) to CpRu(L)H (1) (L = dfepe = PR2CH2CH2PR2, R = C2F5) in CD2Cl2 under N-2 produces a mixture of [CpRu(L)(H)(2)](+) (2a), [CpRu(L)(H-2)](+) (2b), and CpRu(L)(OTf) (3) in a ratio of 1:5:2. Salts of the acid [HOEt2](+) are not strong enough to protonate 1. Complexes 2 slowly eliminate Hz to give 3; this reaction is slowed by-adding excess HOTf. Of all such complexes [CpRu(PR2CH2CH2PR2)(H-2)](+), R = alkyl and aryl, the dihydrogen complex 2b has the greatest acidity (similar to that of HOTf) and the related HD complex has the greatest J(HD) (29.1 Hz) because of the electron-withdrawing substituents R R = C2F5. The reaction of 3 with 1 atm H-2(g) proceeds much faster in the presence than in the absence of 1 equiv of HOTf to produce 1 and HOTf. This is a rare example of the production of a strong acid from H-2(g) where the intermediate dihydrogen complex has been characterized. Reaction of Cp*Ru(L)Cl (4), Cp* = C5Me5, in dry CH2Cl2 at -78 degrees C with AgX salts under H-2(g) (1 atm) gives mixtures of Cp*Ru(L)H (5) and [Cp*Ru(L)(H)(2)](+) (6), which have been identified by H-1 NMR. 6 is deprotonated by traces of water or by PPh3 to give Cp*Ru(L)H (5). The addition of excess HOTf mixtures of 5 and 6 under H-2(g) produces 6. Complexes 3, 4, and 5 have been characterized by single-crystal X-ray diffraction. Complexes CpRu(L)Cl, 1, 4, and 5 have very positive redox potentials that indicate that the dfepe ligand has the electron-withdrawing power close to that of two carbonyl ligands.

  DOI：

  10.1021/om980711u