(2,2-trans)-Ru2(2-(2,3,4,5,6-pentafluoroanilino)pyridinate)4(C.tplbond.CC6H5)2 | 150436-74-1

• 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: (2,2-trans)-Ru2(2-(2,3,4,5,6-pentafluoroanilino)pyridinate)4(C.tplbond.CC6H5)2
• 英文别名: ethynylbenzene;(2,3,4,5,6-pentafluorophenyl)-pyridin-2-ylazanide;ruthenium(3+)
• CAS: 150436-74-1；196189-97-6；196189-98-7
• 化学式: C₆₀H₂₆F₂₀N₈Ru₂
• 分子量: 1441.03
• InChiKey: BBTOYSCDMJULRT-UHFFFAOYSA-N

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：

  (2,2-trans)-Ru2(2-(2,3,4,5,6-pentafluoroanilino)pyridinate)4(C.tplbond.CC6H5)2 以 二氯甲烷 为溶剂， 生成 (3,1)-Ru2(2-(2,3,4,5,6-pentafluoroanilino)pyridinate)4(C.tplbond.CC6H5)2(1-)
  参考文献：
  名称：

  Isomer Effect on the Structure and Chemical Reactivity of Diruthenium Complexes. Synthesis and Characterization of the (4,0), (3,1), and (2,2) Trans Isomers of Ru₂(F₅ap)₄Cl and Ru₂(F₅ap)₄(C⋮CC₆H₅)₂ Where F₅ap Is the 2-(2,3,4,5,6-Pentafluoroanilino)pyridinate Anion

  摘要：

  The syntheses and characterization of the (4,0), (3,1), and (2,2) trans isomers of Ru-2(F(5)ap)(4)Cl and Ru-2(F(5)ap)(4)-(C=CC6H5)(2) are reported where F(5)ap is the 2-(2,3,4,5,6-pentafluoroanilino)pyridinate anion. The (4,0), (3,1), and (2,2) trans isomers of Ru-2(F(5)ap)(4)Cl were separated on a silica gel column following the reaction between Ru-2(CH3COO)(4)Cl and molten HF(5)ap under argon. The (4,0), (3,1), and (2,2) trans isomers of Ru-2(F(5)ap)(4)-(C=CC6H5)(2) were obtained by reaction of their respective isomer of Ru-2(F(5)ap)(4)Cl with LiC=CC6H5 in THF at room temperature. The three isomers of Ru-2(F(5)ap)(4)Cl and Ru-2(F(5)ap)(4)(C=CC6H5)(2) were characterized by H-1 and F-19 NMR, ESR, and IR spectroscopy, mass spectrometry and electrochemistry. Each (RuRuIII)-Ru-II isomer of RU2(F-5 ap)(4)Cl is paramagnetic and undergoes two oxidations and one reduction in CH2Cl2, 0.1 M TBAP while each Ru-2(III) isomer of Ru-2(F(5)ap)(4)(C=CC6H5)(2) is diamagnetic and undergoes one oxidation and two reductions under the same solution conditions. All of the redox processes are reversible and involve metal-centered one-electron transfers. The singly reduced products of the (4,0), (3,1), and (2,2) trans isomers of Ru-2(F(5)ap)(4)(C=CC6H5)(2) were electrogenerated and display ESR signals consistent with the presence of a single unpaired electron. Molecular structures of the three isomers of Ru-2(F(5)ap)(4)(C=CC6H5)(2) were also determined. The (4,0) isomer crystallizes in the monoclinic space group P2(1)/c with a = 23.436(6) Angstrom, b = 20.640(6) Angstrom, c = 23.504(6) Angstrom, beta = 105.82(2)degrees, and Z = 8, while the (3,1) isomer crystallizes in the monoclinic space group P2(1)/n with a 15.621(3) Angstrom, b = 16.427(3) Angstrom, c = 21.166(5) Angstrom, beta = 93.91(2)degrees, and Z = 4. The (2,2) trans isomer crystallizes in the triclinic space group P(1) with a = 12.819(5) Angstrom, b = 13.390(4) Angstrom, c = 17.827(5) Angstrom, alpha = 85.04(2)degrees, beta = 72.66(2)degrees, gamma = 68.47(2)degrees, and Z = 2. The average Ru-Ru bond distances in the (4,0), (3,1), and (2,2) trans isomers of Ru-2(F(5)ap)4-(C=CC6H5)(2) are 2.450(1), 2.475(1), and 2.473(1) Angstrom, respectively.

  DOI：

  10.1021/ic9602658
• 作为产物：
  描述：

  (2,2-trans)-Ru2(2-(2,3,4,5,6-pentafluoroanilino)pyridinate)4Cl 、 lithium phenylacetylide 在 air 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到(2,2-trans)-Ru2(2-(2,3,4,5,6-pentafluoroanilino)pyridinate)4(C.tplbond.CC6H5)2
  参考文献：
  名称：

  Isomer Effect on the Structure and Chemical Reactivity of Diruthenium Complexes. Synthesis and Characterization of the (4,0), (3,1), and (2,2) Trans Isomers of Ru₂(F₅ap)₄Cl and Ru₂(F₅ap)₄(C⋮CC₆H₅)₂ Where F₅ap Is the 2-(2,3,4,5,6-Pentafluoroanilino)pyridinate Anion

  摘要：

  The syntheses and characterization of the (4,0), (3,1), and (2,2) trans isomers of Ru-2(F(5)ap)(4)Cl and Ru-2(F(5)ap)(4)-(C=CC6H5)(2) are reported where F(5)ap is the 2-(2,3,4,5,6-pentafluoroanilino)pyridinate anion. The (4,0), (3,1), and (2,2) trans isomers of Ru-2(F(5)ap)(4)Cl were separated on a silica gel column following the reaction between Ru-2(CH3COO)(4)Cl and molten HF(5)ap under argon. The (4,0), (3,1), and (2,2) trans isomers of Ru-2(F(5)ap)(4)-(C=CC6H5)(2) were obtained by reaction of their respective isomer of Ru-2(F(5)ap)(4)Cl with LiC=CC6H5 in THF at room temperature. The three isomers of Ru-2(F(5)ap)(4)Cl and Ru-2(F(5)ap)(4)(C=CC6H5)(2) were characterized by H-1 and F-19 NMR, ESR, and IR spectroscopy, mass spectrometry and electrochemistry. Each (RuRuIII)-Ru-II isomer of RU2(F-5 ap)(4)Cl is paramagnetic and undergoes two oxidations and one reduction in CH2Cl2, 0.1 M TBAP while each Ru-2(III) isomer of Ru-2(F(5)ap)(4)(C=CC6H5)(2) is diamagnetic and undergoes one oxidation and two reductions under the same solution conditions. All of the redox processes are reversible and involve metal-centered one-electron transfers. The singly reduced products of the (4,0), (3,1), and (2,2) trans isomers of Ru-2(F(5)ap)(4)(C=CC6H5)(2) were electrogenerated and display ESR signals consistent with the presence of a single unpaired electron. Molecular structures of the three isomers of Ru-2(F(5)ap)(4)(C=CC6H5)(2) were also determined. The (4,0) isomer crystallizes in the monoclinic space group P2(1)/c with a = 23.436(6) Angstrom, b = 20.640(6) Angstrom, c = 23.504(6) Angstrom, beta = 105.82(2)degrees, and Z = 8, while the (3,1) isomer crystallizes in the monoclinic space group P2(1)/n with a 15.621(3) Angstrom, b = 16.427(3) Angstrom, c = 21.166(5) Angstrom, beta = 93.91(2)degrees, and Z = 4. The (2,2) trans isomer crystallizes in the triclinic space group P(1) with a = 12.819(5) Angstrom, b = 13.390(4) Angstrom, c = 17.827(5) Angstrom, alpha = 85.04(2)degrees, beta = 72.66(2)degrees, gamma = 68.47(2)degrees, and Z = 2. The average Ru-Ru bond distances in the (4,0), (3,1), and (2,2) trans isomers of Ru-2(F(5)ap)4-(C=CC6H5)(2) are 2.450(1), 2.475(1), and 2.473(1) Angstrom, respectively.

  DOI：

  10.1021/ic9602658