nickel(III) N,N'-ethylenebis(2-propylmercaptoacetamide) cation | 951224-85-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: nickel(III) N,N'-ethylenebis(2-propylmercaptoacetamide) cation
• 英文别名: Ni(ema)*(CH2)3(1+)
• CAS: 951224-85-4
• 化学式: C₉H₁₄N₂NiO₂S₂
• 分子量: 305.044
• InChiKey: KIXLRVSFOVHLLE-UHFFFAOYSA-L

反应信息

• 作为产物：
  描述：

  nickel(II) N,N'-ethylenebis(2-propylmercaptoacetamide) 在 NOBF₄ 作用下， 以 not given 为溶剂， 以0%的产率得到nickel(III) N,N'-ethylenebis(2-propylmercaptoacetamide) cation
  参考文献：
  名称：

  An Experimental and Computational Study of Sulfur-Modified Nucleophilicity in a Dianionic NiN₂S₂ Complex

  摘要：

  The dianionic NiN2S2 complex, Ni(ema)(2-), ema = N,N'-ethylenebis-2-mercaptoacetamide, known as a reasonable model of the tripeptide complex Ni(CGC)(2-) (C = cysteine; G = glycine) with respect to the two carboxyamido nitrogens and cis-dithiolates in a (N2S2)(4-) ligand scaffold as found in acetyl CoA synthase, has been explored for S-based reactivity toward oxygenation and alkylation. The isolation and structural characterization of a sulfinato species, [Et4N](2)[Ni(ema)center dot O-2], prepared through a unique direct reaction of molecular O-2 with crystalline [Et4N](2)[Ni(ema)] is described. Reaction of [Et4N](2)[Ni(ema)] with Br(CH2)(3)Br yields a neutral N2S2 macrocyclic complex shown by DFT computations and electrostatic-potential mapping to be opposite in electron distribution from the neutral NiN2S2 complexes in which the anionic charge is localized on sulfur.

  DOI：

  10.1021/ic700878y