CpFe(CO)(κ2S,Se-SeCS2Ph) | 952296-98-9

• 英文名称: CpFe(CO)(κ2S,Se-SeCS2Ph)
• CAS: 952296-98-9
• 化学式: C₁₃H₁₀FeOS₂Se
• 分子量: 381.161
• InChiKey: XUAABAFHRLNNMK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  CpFe(CO)2(κSe-SeCS2Ph) 以 四氢呋喃 为溶剂， 以78%的产率得到CpFe(CO)(κ2S,Se-SeCS2Ph)
  参考文献：
  名称：

  Synthesis and structures of CpFe(CO)2(κE-ECS2Ph) and [CpFe(CO)(κ2S,E-ECS2Ph)] (E=S, Se)

  摘要：

  The iron trithiocarbonato complex CpFe(CO)(2)(kappa S-SCS2Ph) (1a) and its selenodithiocarbonato, analogue CpFe(CO)(2)(kappa Se-SeCS2Ph) (1b) were generated by room temperature reactions of (mu-E-x)[CpFe(CO)(2)](2) (E = S; x = 2, 3. E = Se; x = 1) with PhSC(S)Cl. These compounds can be converted into the complexes CpFe(Co)(kappa S-2,E-ECS2Ph) [E = S (2a), Se (2b)], in which the trithiocarbonato or the selenodithiocarbonato ligand is bonded to the iron in a chelate form, under photolytic conditions. The composition and structure of all products have been verified by elemental analyses, IR and H-1 NMR spectroscopies. The crystal structures for compounds la, 1b, and 2b show a three-legged piano-stool configuration at Fe in each complex. The spectroscopic and structural data in this work are commensurate with the electronic factor of the S- and Se-donor ligands. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.04.010