bis(acetonitrile)dichlorobis(2-((2-mercaptophenylimino)methyl)-4,6-di-tert-butylphenolato(2-))diruthenium(III) | 1145655-91-9

• 英文名称: bis(acetonitrile)dichlorobis(2-((2-mercaptophenylimino)methyl)-4,6-di-tert-butylphenolato(2-))diruthenium(III)
• CAS: 1145655-91-9
• 化学式: C₄₆H₅₆Cl₂N₄O₂Ru₂S₂
• 分子量: 1034.15
• InChiKey: VEOXTVMVMRKBMN-YALGLSOUSA-H

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：

  bis(acetonitrile)dichlorobis(2-((2-mercaptophenylimino)methyl)-4,6-di-tert-butylphenolato(2-))diruthenium(III) 在 n-Bu₄NPF₆ 作用下， 以 二氯甲烷 为溶剂， 生成 bis(acetonitrile)dichloro(2-((2-mercaptophenylimino)methyl)-4,6-di-tert-butylphenolato(2-))(2-((2-mercaptophenylimino)methyl)-4,6-di-tert-butylphenoxyl(1-))diruthenium(III)(1+)
  参考文献：
  名称：

  Trivalent Iron and Ruthenium Complexes with a Redox Noninnocent (2-Mercaptophenylimino)-methyl-4,6-di-tert-butylphenolate(2-) Ligand

  摘要：

  The 3,5-di-tert-butyl substituted N-(salicylidene)-o-mercaptoaniline (H2L) ligand reacted with equimolar amounts of FeBr2 and 2 equiv of triethylamine in air affords [Fe-III(L-L)Br](0) (1), where (L-L)(2-) is a pentacoordinate ligand formed from the oxidative dimerization of L2- Via disulfide bridge formation. Reaction of H2L with RuCl3 center dot H2O and NEt3 gives a dark green-brown dinuclear complex, [Ru-2(III)(L)(2)Cl-2(NCCH3)(2)](0) (2). Both complexes have been characterized by X-ray crystallography. A Ru-Ru single bond is evident in 2. Complex 1 has also been characterized by electron paramagnetic resonance and Mossbauer spectroscopies and magnetic susceptibility measurements that identify a high-spin Fe(III) (S = 5/2) center. Diamagnetic 2 is successively twice reversibly one-electron oxidized to produce [Ru-2(III)(L-center dot)(L)Cl-2(NCCH3)(2)](+), [2](+) (S = 1/2), and [Ru-2(III)(L-center dot)(2)Cl-2(NCCH3)(2)](2+), [2](2+) (S = 0). Spectroelectrochemical and electron paramagnetic resonance measurements identify these as ligand-based oxidations affording o-coordinated phenoxyl radicals. DFT calculations on the electron transfer series corroborate this result and that the Ru-Ru single bond is retained throughout this series,

  DOI：

  10.1021/ic8023716
• 作为产物：
  描述：

  乙腈 、 水合三氯化钌 、 2-((E)-(2-mercaptophenylimino)methyl)-4,6-di-tert-butylphenol 在 Et₃N 作用下， 以 乙腈 为溶剂， 以96%的产率得到bis(acetonitrile)dichlorobis(2-((2-mercaptophenylimino)methyl)-4,6-di-tert-butylphenolato(2-))diruthenium(III)
  参考文献：
  名称：

  Trivalent Iron and Ruthenium Complexes with a Redox Noninnocent (2-Mercaptophenylimino)-methyl-4,6-di-tert-butylphenolate(2-) Ligand

  摘要：

  The 3,5-di-tert-butyl substituted N-(salicylidene)-o-mercaptoaniline (H2L) ligand reacted with equimolar amounts of FeBr2 and 2 equiv of triethylamine in air affords [Fe-III(L-L)Br](0) (1), where (L-L)(2-) is a pentacoordinate ligand formed from the oxidative dimerization of L2- Via disulfide bridge formation. Reaction of H2L with RuCl3 center dot H2O and NEt3 gives a dark green-brown dinuclear complex, [Ru-2(III)(L)(2)Cl-2(NCCH3)(2)](0) (2). Both complexes have been characterized by X-ray crystallography. A Ru-Ru single bond is evident in 2. Complex 1 has also been characterized by electron paramagnetic resonance and Mossbauer spectroscopies and magnetic susceptibility measurements that identify a high-spin Fe(III) (S = 5/2) center. Diamagnetic 2 is successively twice reversibly one-electron oxidized to produce [Ru-2(III)(L-center dot)(L)Cl-2(NCCH3)(2)](+), [2](+) (S = 1/2), and [Ru-2(III)(L-center dot)(2)Cl-2(NCCH3)(2)](2+), [2](2+) (S = 0). Spectroelectrochemical and electron paramagnetic resonance measurements identify these as ligand-based oxidations affording o-coordinated phenoxyl radicals. DFT calculations on the electron transfer series corroborate this result and that the Ru-Ru single bond is retained throughout this series,

  DOI：

  10.1021/ic8023716