| 270568-20-2

• 分子结构分类: 有机化合物 - 有机硫化合物
• CAS: 270568-20-2
• 化学式: CNiS₂
• 分子量: 134.833
• InChiKey: DRYPYRCPOSAQFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.02
• 重原子数：
  4.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  二硫化碳 、 镍 以 solid matrix 为溶剂， 生成
  参考文献：
  名称：

  Reactions of Co, Ni, and Cu Atoms with CS₂:  Infrared Spectra and Density-Functional Calculations of SMCS, M-(η²-CS)S, M-CS₂, and MCS₂⁺ in Solid Argon

  摘要：

  Laser-ablated cobalt, nickel, and copper atoms and cations were reacted with CS2 molecules during condensation in excess argon. The carbon-bonded M-eta(1)-CS2 and side-bonded M-(eta(2)-CS)S complexes were formed on annealing, whereas the inserted SMCS molecules were formed on photolysis. The Co-eta(1)-CS2+, Ni-eta(1)-CS2+ and Cu-SCS+ cations were also produced by metal cation reactions with CS2. The product absorptions are identified by isotopic substitutions, electron trapping with added CCl4, and density functional calculations. This work provides the first vibrational spectroscopic characterization of the Co, Ni, and Cu-CS2 neutral and cation complexes and the SMCS insertion products.

  DOI：

  10.1021/jp993576n