NBu4[trans-RuCl4(DMSO)(CO)] | 166105-66-4

• 英文名称: NBu4[trans-RuCl4(DMSO)(CO)]
• 英文别名: [nBu4N][trans-RuCl4(CO)(dimethyl sulfoxide)]
• CAS: 166105-66-4
• 化学式: C₃H₆Cl₄O₂RuS*C₁₆H₃₆N
• 分子量: 591.496
• InChiKey: PPSYLHFNGHWNJL-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• 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

• 作为反应物：
  描述：

  5,10,15,20-tetra(4-pyridyl)-21H,23H-porphine 、 NBu4[trans-RuCl4(DMSO)(CO)] 以 氯仿 、 丙酮 为溶剂， 以30%的产率得到[nBu4N]4[(tetrakis(4-pyridyl)porphyrin)(trans-RuCl4(CO))4]
  参考文献：
  名称：

  Ordered Supramolecular Porphyrin Arrays from a Building Block Approach Utilizing Pyridylporphyrins and Peripheral Ruthenium Complexes and Identification of a New Type of Mixed-Metal Building Block

  摘要：

  Supramolecular ruthenium complexes (Ru-PyPs) with 4-pyridyl/phenyl porphyrins (PyPs) have been designed and characterized spectroscopically. Ruthenium-dimethyl sulfoxide (Me2SO) complexes and their carbonyl derivatives were used as precursors to synthesize adducts with Ru:PyP ratios of 1:1 and 1:2 (monomers), 2:1 (dimers), and 4:1 (tetramers). For example, treatment of mono-(pyridyl)porphyrin MPyP (5-(4-pyridyl)-10,15, 20-triphenylporphyrin) with cis,fac-RuCl2(Me2SO)(3)(CO) yielded the 1:1 monomer cis,cis,cis-RuCl2(Me2SO)(2)(CO)(MPyP), while reaction with trans,cis,cis-RuCl2(Me2SO)(4) or trans,cis,cis-RuCl2(CO)2(Me2SO)2 (2:1 ratio) gave the 1:2 monomers trans,cis,cis-RuCl2(Me2SO)(2)(MPyP)(2) and tmr cis,cis-RuCl2(CO)(2)(MPyP)(2), respectively. Synthesis of the dimers, (cis-DPyP) [cis,cis,cis-RuCl2(Me2SO)2(CO)](2) and (trans-DPyP) [fis, cis, cis-RuCl2(Me2SO)(2)(CO)](2), was accomplished by reaction of the bis-(pyridyl)porphyrins, cis-DPyP (5,10-bis(4-pyridyl)-15,20-diphenylporphyrin) and trans-DPyP (5,1 5-bis(4-pyridyl)-10,20-diphenylporphyrin), respectively, with an excess of cis,fac-RuCl2(Me2SO)3(CO), Similarly, treatment of 5,10,15,20-tetrakis(4-pyridyl)porphyrin (TPyP) with an excess of cis,fac-RuCl2(Me2SO)(3)(CO) yielded the symmetric tetramer, (TPyP)[cis,cis,cis-RuCl2(Me2SO)(2)(CO)(4)](4). H-1 NMR spectroscopy proved particularly useful for characterizing the Ru-PyPs. Coordination of Ru to the Lt-pyridyl groups affected mainly the resonances of the pyridyl ring(s) of the PyPs, causing downfield shifts (H2,6 signals from 0.3 to 0.9 ppm; H3,5 from 0.03 to 0.18 ppm). The pyrrole proton resonances were particularly informative about the geometry of the porphyrin, Treatment of selected Ru-PyP adducts with an excess of zinc acetate produced the corresponding zinc compounds, Ru-Zn . PyPs, in good yield. Most of the Ru-PyPs and Ru-Zn . PyPs are quite soluble in organic solvents like CHCl3 and very robust in solution, where they remain intact for weeks. TH NMR and electronic absorption spectra provided evidence that only the Ru-Zn PyPs with residual Me2SO units self-assemble spontaneously in solution. The observations are consistent with a self-assembly mode process occuring between the oxygen atom of a Me2SO ligand of one molecule and the zinc of another molecule.

  DOI：

  10.1021/ic970340u
• 作为产物：
  描述：

  [nBu4N][trans-RuCl4(dimethyl sulfoxide)2] 、 一氧化碳 以 氯仿 为溶剂， 以80%的产率得到NBu4[trans-RuCl4(DMSO)(CO)]
  参考文献：
  名称：

  Carbonyl Derivatives of Chloride-Dimethyl Sulfoxide-Ruthenium(III) Complexes: Synthesis, Crystal Structure, and Reactivity of [(DMSO)2H][trans-RuCl4(DMSO-O)(CO)] and mer,cis-RuCl3(DMSO-O)2(CO)

  摘要：

  The synthesis, spectroscopic characterization and crystal structure of [(DMSO)(2)H][trans-RuCl4(DMSO)(CO)] (3) and mer,cis-RuCl3(DMSO)(2)(CO) (4) are reported (DMSO = O-bonded dimethyl sulfoxide). The two complexes are easily synthesized from [(DMSO)(2)H][trans-RuCl4(DMSO)(2)] (1) and mer,trans-RuCl3(DMSO)(2)(DMSO) (2), respectively, upon reaction with carbon monoxide at room temperature and atmospheric pressure. They represent the first examples of Ru(III) chloride-DMSO-carbonyl complexes. Coordination of carbon monoxide induces the S to O linkage isomerization of the DMSO ligand trans to it. [(DMSO)(2)H][trans-RuCl4(DMSO)(CO)]: orthorhombic, space group Pnma, Z = 4, a = 10.564(1) Angstrom, b = 14.620(3) Angstrom, c = 12.312(1) Angstrom. mer,cis-RuCl3(DMSO)(2)(CO): triclinic, space group P1, Z = 4, a = 6.991(9) Angstrom, b = 13.98(1) Angstrom, c = 14.86(2) Angstrom, alpha = 82.76(8)degrees, beta = 85.83(8)degrees, gamma = 75.41(9)degrees. In both 3 and 4 the DMSO ligand trans to CO is weakly bonded and easily replaced by a nitrogen donor ligand such as NH3 or pyridine.

  DOI：

  10.1021/ic00123a003