[Os(2,3,5,6-tetrafluorobenzenethiol-H)4(pentafluorophenyldiphenylphosphine)] | 1301253-85-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Os(2,3,5,6-tetrafluorobenzenethiol-H)4(pentafluorophenyldiphenylphosphine)]
• 英文别名: [Os(SC6F4H-4)4(PPh2(C6F5))]
• CAS: 1301253-85-9
• 化学式: C₄₂H₁₄F₂₁OsPS₄
• 分子量: 1266.98
• InChiKey: VADKHUCDERIYHA-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  12.73
• 重原子数：
  69.0
• 可旋转键数：
  12.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  四氧化锇 、 2,3,5,6-四氟苯硫酚 、 五氟苯基二苯基膦 以 乙醇 为溶剂， 以21%的产率得到[Os(2,3,5,6-tetrafluorobenzenethiol-H)4(pentafluorophenyldiphenylphosphine)]
  参考文献：
  名称：

  Five-coordinate fluorobenzothiolate osmium(IV) complexes [Os(SRF)4(PR3)] (RF=C6F4H-4, R3=Ph2(C6F5); RF=C6F4H-4, R3=(OPh)3; RF=C6F5, R3=(OPh)3): Single-crystal structures and solution structural characterization

  摘要：

  Reactions of OsO4 with excess of HSRF and PR3 in ethanol afford five-coordinate compounds [Os(SRF)(4)(PR3)] (R-F = C6F4H-4, R-3 = Ph-2(C6F5) (1); R-F = C6F4H-4. R-3 = (OPh)(3) (2); and R-F = C6F5, R-3 = (OPh)(3) (3)). Single crystal X-ray diffraction studies of 1-3 exhibit a common pattern with an osmium center in a trigonal-bipyramidal coordination arrangement. Axial positions are occupied by mutually trans thiolate and phosphine or phosphite ligands, while the remaining three equatorial positions are occupied by thiolate ligands. In compound 1 the tetrafluorophenyl rings of the equatorial ligands are directed away from the axial phosphine ligand in a "3-up" arrangement. In contrast, a "2-up, 1-down" arrangement was found in compounds 2 and 3, where only two of the fluorinated rings from the equatorial thiolates are directed towards the axial thiolate, while the fluorinated substituent of the third equatorial thiolate is directed towards the phosphine ligand. Structural characterization in solution by H-1, P-31{H-1} and F-19 NMR, variable temperature and COSY F-19-F-19 NMR studies are discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.02.001