| 1496536-56-1

• CAS: 1496536-56-1
• 化学式: C₂₀H₁₄FeS₁₀
• 分子量: 630.838
• InChiKey: AZCOMVBRSKFJGP-UHFFFAOYSA-N

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：
  None
• 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

• 作为反应物：
  描述：

  2,3,5,6-四氟-7,7',8,8'-四氰二甲基对苯醌 、 以 氯苯 为溶剂， 生成
  参考文献：
  名称：

  Substituent-Dependent Spin-Density Distribution and Coexistence of Fe 3d and π Spins on Ferrocene–Tetrathiafulvalene Hybrids

  摘要：

  Ferrocene (Fc) and tetrathiafulvalene (TTF) moieties were incorporated into novel hybrid molecules of structure FcS(4)TTF(R)(2) (R = CF3 and SMe). [FcS(4)TTF(R)(2)](center dot+) exhibited R-dependent spin-density distribution, and [FcS(4)TTF(CF3)(2)](center dot center dot 2+) showed the coexistence of Fc-centered Fe 3d and TTF-centered pi spins. The solid-state molecular structures in different oxidation states reflect their characteristic spin states.

  DOI：

  10.1021/ic4022678
• 作为产物：
  描述：

  1,3-dithia-{3}ferrocenophan-2-one 、 2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione 在 三甲氧基磷 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以9%的产率得到
  参考文献：
  名称：

  Substituent-Dependent Spin-Density Distribution and Coexistence of Fe 3d and π Spins on Ferrocene–Tetrathiafulvalene Hybrids

  摘要：

  Ferrocene (Fc) and tetrathiafulvalene (TTF) moieties were incorporated into novel hybrid molecules of structure FcS(4)TTF(R)(2) (R = CF3 and SMe). [FcS(4)TTF(R)(2)](center dot+) exhibited R-dependent spin-density distribution, and [FcS(4)TTF(CF3)(2)](center dot center dot 2+) showed the coexistence of Fc-centered Fe 3d and TTF-centered pi spins. The solid-state molecular structures in different oxidation states reflect their characteristic spin states.

  DOI：

  10.1021/ic4022678