[RuBr(η(2)-H2)(1,3-bis(diphenylphosphino)propane)2]PF6 | 371976-40-8

• 英文名称: [RuBr(η(2)-H2)(1,3-bis(diphenylphosphino)propane)2]PF6
• CAS: 371976-40-8
• 化学式: C₅₄H₅₄BrP₄Ru*F₆P
• 分子量: 1152.86
• InChiKey: KQJBTVXAAMHUCB-UHFFFAOYSA-M

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：

  、 氢气 以 氘代氯仿 为溶剂， 生成 [RuBr(η(2)-H2)(1,3-bis(diphenylphosphino)propane)2]PF6
  参考文献：
  名称：

  Making a 16-electron bromo (or iodo) complex of ruthenium(II) and a C—F bond in one pot

  摘要：

  The 16e(-) bromo or iodo complexes [RuX(dppp)(2)](+) (dppp = 1,3-bis(diphenylphosphino)propane, X = Br (1c), I (1d)) and [RuX(dppe)(2)](+) (dppe = 1,2-bis(diphenylphosphino)ethane, X = Br (2c), I (2d)) have been prepared exploiting the reaction of the fluoro complexes [RuF(dppp)(2)](+) (1a) and [Tl(mu -F)(2)Ru(dppe)(2)](+) (3) with activated alkyl bromides or iodides. The X-ray structures of 1c, 1d, 2c, and 2d suggest that the distortion of the Y-shaped trigonal-bipyramidal structure of [MX(P-boolean AND P)(2)](+) is possibly related to the formation of intramolecular hydrogen bonds between the halide ligand and the ortho-hydrogen atoms of the neighbouring phenyl rings. The five-coordinate species 1c, 1d, 2c, and 2d react with H-2 to form the dihydrogen complexes [RuX(eta (2)-H-2)((PP)-P-boolean AND)(2)](+). The reaction of the dppp derivatives 1c and 1d with H-2 (P = 1 atm, 1 atm = 101.322 kPa) is an equilibrium. Quantitative formation of [RuBr(eta (2)-H-2)(dppp)(2)] (4c) is obtained under H-2 pressure (100 bar, 1 bar = 100 kPa), whereas the iodo analogue is not stable under analogous conditions. The less crowded dppe derivatives 2c and 2d react quantitatively with H-2 under ambient pressure. The iodo and bromo derivatives [RuX(eta (2)-H-2)((PP)-P-boolean AND)(2)](+) contain elongated dihydrogen ligands, as indicated by their transverse relaxation times T-1 (min). The present data suggest that Cl, Br, and I have similar donor properties in these dihydrogen complexes, and that the different chemical behaviour in the Cl, Br, I series is mainly a result of steric effects.

  DOI：

  10.1139/cjc-79-5-6-904