| 97298-79-8

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 97298-79-8；144731-82-8
• 化学式: C₁₄H₁₄NiS₄
• 分子量: 369.219
• InChiKey: LRJBDGMQWAOPDH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.93
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Sellmann, Dieter; Schillinger, Helmut; Knoch, Falk, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1992, vol. 47, # 5, p. 748 - 754

  摘要：

  DOI：
• 作为产物：
  描述：

  在 HBF₄ 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Transition-metal complexes with sulfur ligands. Part LXXXIV. CH3 complexes with [NiS] fragments as models for CO dehydrogenase. Synthesis and properties of [Ni(‘MeS2’)2] and (NMe4)[Ni(CH3)(‘MeS2’)2] (‘MeS2’−=o-(methylthio)thiophenolate(1−))

  摘要：

  Reaction of [Ni('MeS2')2] (1) ('MeS2'- = o-(methylthio)thiophenolate(1-)) with methyl lithium yields the methyl complex anion [Ni(CH3)('MeS2')2]- which can be isolated as (NMe4)[Ni(CH3)('MeS2')2] (2). The molecular structures of 1 (monoclinic, P2(1)/c, Z = 2, a = 791.5(5), b = 1083.1(8), c = 894.1(6) pm, beta = 92.79(5)-degrees, R/R(w) = 0.063/0.049) and 2.MeOH (monoclinic, P2(1)/c, Z = 4, a = 1901.0(12), b = 830.3(9), c = 1716.1(14) pm, beta = 113.84(5)-degrees, R/R(w) = 0.072/0.053) were elucidated by X-ray structure analysis. 1 contains a planar [NiS4] core, 2.MeOH exhibits a planar [NiS3C] core, one thioether donor being decoordinated. 1 does not react with CO but 2 undergoes immediate reaction with CO. Monitoring the reaction by IR spectroscopy yields evidence for the intermediate formation of labile Ni-acetyl complexes. Reaction of 2 with protonic acids (HBF4/Et2O, HCl/THF) yields CH4 and 1. Thermolysis of 2 in solid state as well as in acetone solution at room temperature, however, gives C2H6, and 1 was identified as one of the resulting nickel species.

  DOI：

  10.1016/s0020-1693(00)92377-6

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C2, 8.11, page 934 - 947
  作者：

  DOI：——

  日期：——
• Livingstone, S. E., Journal of the Chemical Society
  作者：Livingstone, S. E.

  DOI：——

  日期：——