乙烷-1,2-二硫醇镍(+2) | 62625-12-1

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 乙烷-1,2-二硫醇镍(+2)
• 英文名称: ethane-1,2-dithiolate;nickel(2+)
• CAS: 62625-12-1
• 化学式: 3C₂H₄S₂*2Ni
• 分子量: 393.937
• InChiKey: HIRNZIOQHBZWKZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.08
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙烷-1,2-二硫醇镍(+2) 、 1,2-乙二硫醇 以 not given 为溶剂， 以>99的产率得到
  参考文献：
  名称：

  The Reactions of Nickel(II) with 1,2-Ethanedithiol¹

  摘要：

  Ethanedithiol reacts with nickel(II) under alkaline conditions to give the extremely stable complexes Ni(2)es(2)(-) and Nies(2)(-). The formation constants for these complexes are about 2 X 10(+47) and 4 X 10(+25), respectively, at 30 degrees and at an ionic strength of 0.1. A comparison of the spectra of these complexes with those of the analogous 2,3-dimercapto-1-propanol (DMP) complexes of nickel(II) shows that in these latter complexes coordination takes place only through the sulfur atoms. Relative activities of DMP and ethanedithiol at a given concentration in solution have been determined, and these are shown to have quite a large effect on the relative values of the molar formation constants of Ni(DMP)(2)(-) and Niesi(2)(-). The combination of ligand activity effects and complex ion solvation energies obscures conclusions drawn from the relative values of molar formation constants regarding the nature of either bonding or steric factors in a series of complexes.

  DOI：

  10.1021/ja01502a005
• 作为产物：
  描述：

  {PPh4}2{(ethane-1,2-dithiolato)2nickel(II)} * 4H2O 以 not given 为溶剂， 生成 乙烷-1,2-二硫醇镍(+2)
  参考文献：
  名称：

  Mononuclear nickel(II) thiolates of square-planar geometry: syntheses, spectral and redox properties of [Ni(SCH2CH2S)2]2− and [Ni(SCH(CH3)CH(CH3)S)2]2− and the structure of (Ph4P)2[Ni(SCH2CH2S)2]·4H2O

  摘要：

  Reaction of NiCl2.6H2O with excess (> 10 equiv.) dithiolate ligands ethane-1,2-dithiolate (edt2-) and butane-2,3-dithiolate (bdt2-) in water or ethanol affords the mononuclear thiolato complexes [Ni(edt)2]2- and [Ni(bdt)2]2-, respectively. These homoleptic thiolates contain square-planar NiS4 chromophores. The complex (Ph4P)2]Ni(edt)2[.4H20 (3) crystallizes in the monoclinic space group P2(1)/c with a = 10.590(2), b = 16.299(3), c = 14.752(3) angstrom, beta = 100.20(2)-degrees, V = 2506.0(8) angstrom-3 and Z = 2. The structure was refined to R = 3.31% by using 2486 unique data (F0(2) > 3-sigma-(F0(2)). In DMF solution, [Ni(bdt)2]2- can be oxidized to the nickel(III) complex [Ni(bdt)2]- at an extremely low potential of -0.75 V versus SCE. EPR parameters of [Ni(bdt)2]- suggest a square-planar structure for this nickel (III) thiolate.

  DOI：

  10.1016/s0020-1693(00)85981-2

文献信息

• NICKEL THIOLATES. SIMPLE SYNTHESIS, THE BEHAVIOR UPON PROTOLYSIS AND OXIDATION POTENTIALS
  作者：Takeshi Yamamura、Hiroshi Miyamae、Yasuyuki Katayama、Yukiyoshi Sasaki

  DOI：10.1246/cl.1985.269

  日期：1985.3.5

  (NEt4)2[Ni(SPh)4], (NEt4)3[Ni3(SEt)12] and (NEt4)2[Ni2(edt)3] (edt=ethan-1,2-dithiolate dianion), were synthesized by a simple method. These complexes were condensated stepwise by controlled protolysis through their own higher clusters such as [Ni(SEt)2]n(n≠∞) and (NEt4)2[Ni3(edt)4] to the polymers, [Ni(SPh)2]∞,[Ni(SEt)2]∞, and [Ni(edt)]∞.

  合成了 (NEt4)2[Ni(SPh)4]、(NEt4)3[Ni3(SEt)12] 和 (NEt4)2[Ni2(edt)3]（edt=ethan-1,2-dithiolate dianion）通过一个简单的方法。这些配合物通过受控质子分解逐步缩合到聚合物，[Ni(SPh)2]n(n≠∞) 和 (NEt4)2[Ni3(edt)4] ]∞、[Ni(SEt)2]∞ 和 [Ni(edt)]∞。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C2, 8.11, page 934 - 947
  作者：

  DOI：——

  日期：——
• Mononuclear nickel(II) thiolates of square-planar geometry: syntheses, spectral and redox properties of [Ni(SCH2CH2S)2]2− and [Ni(SCH(CH3)CH(CH3)S)2]2− and the structure of (Ph4P)2[Ni(SCH2CH2S)2]·4H2O
  作者：Narayan Baidya、Pradip K. Mascharak、Douglas W. Stephan、Charles F. Campagna

  DOI：10.1016/s0020-1693(00)85981-2

  日期：1990.11

  Reaction of NiCl2.6H2O with excess (> 10 equiv.) dithiolate ligands ethane-1,2-dithiolate (edt2-) and butane-2,3-dithiolate (bdt2-) in water or ethanol affords the mononuclear thiolato complexes [Ni(edt)2]2- and [Ni(bdt)2]2-, respectively. These homoleptic thiolates contain square-planar NiS4 chromophores. The complex (Ph4P)2]Ni(edt)2[.4H20 (3) crystallizes in the monoclinic space group P2(1)/c with a = 10.590(2), b = 16.299(3), c = 14.752(3) angstrom, beta = 100.20(2)-degrees, V = 2506.0(8) angstrom-3 and Z = 2. The structure was refined to R = 3.31% by using 2486 unique data (F0(2) > 3-sigma-(F0(2)). In DMF solution, [Ni(bdt)2]2- can be oxidized to the nickel(III) complex [Ni(bdt)2]- at an extremely low potential of -0.75 V versus SCE. EPR parameters of [Ni(bdt)2]- suggest a square-planar structure for this nickel (III) thiolate.
• The Reactions of Nickel(II) with 1,2-Ethanedithiol¹
  作者：D. L. Leussing、G. S. Alberts

  DOI：10.1021/ja01502a005

  日期：1960.9

  Ethanedithiol reacts with nickel(II) under alkaline conditions to give the extremely stable complexes Ni(2)es(2)(-) and Nies(2)(-). The formation constants for these complexes are about 2 X 10(+47) and 4 X 10(+25), respectively, at 30 degrees and at an ionic strength of 0.1. A comparison of the spectra of these complexes with those of the analogous 2,3-dimercapto-1-propanol (DMP) complexes of nickel(II) shows that in these latter complexes coordination takes place only through the sulfur atoms. Relative activities of DMP and ethanedithiol at a given concentration in solution have been determined, and these are shown to have quite a large effect on the relative values of the molar formation constants of Ni(DMP)(2)(-) and Niesi(2)(-). The combination of ligand activity effects and complex ion solvation energies obscures conclusions drawn from the relative values of molar formation constants regarding the nature of either bonding or steric factors in a series of complexes.