Sulfanylideneiron(1+) | 60173-22-0

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属有机体
• 英文名称: Sulfanylideneiron(1+)
• CAS: 60173-22-0
• 化学式: FeS
• 分子量: 87.913
• InChiKey: CREMHELODVOPPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.65
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  羰基硫 、 铁粉 以 neat (no solvent) 为溶剂， 生成 Sulfanylideneiron(1+)
  参考文献：
  名称：

  Guided Ion Beam Studies of the Reactions of Fe⁺ and Co⁺ with CS₂ and COS

  摘要：

  The reactions of Fe+ and Co+ with CS2 and COS are studied using guided-ion beam mass spectrometry: Dominant products in all four systems are MS+ and MCX+ (X = S, O). Cross sections for forming FeCS+ and COCS+ in the CS2 systems exhibit two endothermic features, which are assigned to the formation of different structural isomers. From the thresholds associated with forming CoS+ and CoCS+, we determine Do(Co+-S) = 2.95 +/- 0.09 eV and D-0(Co+-CS) = 2.68 +/- 0.34 eV. These values are compared with D-0(Fe+-S) = 3.08 +/- 0.04 eV and D-0(Fe+-CS) = 2.40 +/- 0.12 eV determined previously, and the differences are discussed in some detail. The results for both metal ions reacting with CXS (X = S, O) suggest that the initial step is predominantly insertion of the metal ion into the C-S bond, with activation of the stronger C-O bond being less likely. Comparison of the energy-dependent cross sections indicates that both the CS2 and COS systems show kinetic restrictions for Fe+, which do not occur with Co+. This difference can be attributed to changes of spin multiplicities in the various reactions, processes that are discussed in detail.

  DOI：

  10.1021/jp0120716

文献信息

• Guided Ion Beam Studies of the Reactions of Fe⁺ and Co⁺ with CS₂ and COS
  作者：Chad Rue、P. B. Armentrout、Ilona Kretzschmar、Detlef Schröder、Helmut Schwarz

  DOI：10.1021/jp0120716

  日期：2001.9.1

  The reactions of Fe+ and Co+ with CS2 and COS are studied using guided-ion beam mass spectrometry: Dominant products in all four systems are MS+ and MCX+ (X = S, O). Cross sections for forming FeCS+ and COCS+ in the CS2 systems exhibit two endothermic features, which are assigned to the formation of different structural isomers. From the thresholds associated with forming CoS+ and CoCS+, we determine Do(Co+-S) = 2.95 +/- 0.09 eV and D-0(Co+-CS) = 2.68 +/- 0.34 eV. These values are compared with D-0(Fe+-S) = 3.08 +/- 0.04 eV and D-0(Fe+-CS) = 2.40 +/- 0.12 eV determined previously, and the differences are discussed in some detail. The results for both metal ions reacting with CXS (X = S, O) suggest that the initial step is predominantly insertion of the metal ion into the C-S bond, with activation of the stronger C-O bond being less likely. Comparison of the energy-dependent cross sections indicates that both the CS2 and COS systems show kinetic restrictions for Fe+, which do not occur with Co+. This difference can be attributed to changes of spin multiplicities in the various reactions, processes that are discussed in detail.