lithium fac-tribromotris(dimethylsulfoxide)ruthenate(II) | 142808-87-5

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: lithium fac-tribromotris(dimethylsulfoxide)ruthenate(II)
• CAS: 142808-87-5
• 化学式: C₆H₁₈Br₃O₃RuS₃*Li
• 分子量: 582.128
• InChiKey: NIPFKIRNASRJFB-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  lithium bromide 、 trans-dibromotetrakis(dimethyl sulfoxide)ruthenium(II) 以 甲醇 为溶剂， 以60%的产率得到lithium fac-tribromotris(dimethylsulfoxide)ruthenate(II)
  参考文献：
  名称：

  The synthesis of RuBr2(DMSO)3 revisited: a mixture of Li[fac-RuClnBr3−n(DMSO)3] isomers (n=0−3) is the reaction product

  摘要：

  In this paper we report the correct formulation of a ruthenium(II)-dimethyl sulfoxide complex previously reported in the literature as RuBr2(DMSO)3. By repeating the published synthetic procedure we isolated a product that has been unambiguously characterized as a mixture of Li[fac-RuClnBr3-n(DMSO)3] (n = 0-3) isomers. Our proposal is supported by detailed H-1 NMR spectroscopic studies, as well as by Li-7 and Cl-37 NMR spectra. We also report the crystal structure of [NEt4][fac-RuBr3(DMSO)3].0.5MeOH as determined by three dimensional X-rav analysis. Crystal data: a = 10.96(1), b = 14.30(1), c = 18.25(1) angstrom; beta = 106.0(1)-degrees, space group P2(1)/c, Z = 4. Least-squares refinement based on 1470 reflections converged to R = 0.113.

  DOI：

  10.1016/s0020-1693(00)85827-2