1,1'-bis[(1,3-dithiolo[4,5-b][1,3]-dithiol-2-ylidene)methyl]ferrocene | 184711-87-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫吡喃类
• 英文名称: 1,1'-bis[(1,3-dithiolo[4,5-b][1,3]-dithiol-2-ylidene)methyl]ferrocene
• 英文别名: 5-(cyclopenta-1,3-dien-1-ylmethylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole;iron(2+)
• CAS: 184711-87-3
• 化学式: C₂₀H₁₄FeS₈
• 分子量: 566.706
• InChiKey: RHEXSDXFLXXHQL-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：

  1,1'-bis[(1,3-dithiolo[4,5-b][1,3]-dithiol-2-ylidene)methyl]ferrocene 、 ferrocenium bis(maleonitriledithiolato)nickel(III) 以 1,2-二氯乙烷 、 丙酮 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Paramagnetic and Semiconducting 1:1 Salts of 1,1‘-Disubstituted Ferrocenes and [Ni(mnt)₂]^-. Synthesis, Structure, and Physical Properties

  摘要：

  The ferrocene-based electron donors 1,1'-bis[2-(4-(methylthio)phenyl)-(E)-ethenyl]ferrocene (2), 1,1'-bis[2-(4-methoxyphenyl)-(E)-ethenyl]ferrocene (3), 1,1'-bis[(1,3-dithiolo[4,5-b][1,3]dithiol-2-ylidene)methyl]ferrocene (4), and 1,1'-bis[(1,3-benzodithiol-2-ylidene)methyl]ferrocene (5) were found to react with ferrocenium bis(maleonitriledithiolato)nickelate (1-) ([FeCp(2)](+)[Ni(mnt)(2)](-), 6) to afford the corresponding 1:1 paramagnetic salts 7-10, containing 1,1'-disubstituted ferrocenium derivatives. SQUID magnetic susceptibility measurements of these new compounds showed a behavior dominated by antiferromagnetic interactions within pairs of [Ni(mnt)(2)](-) ions. Pressed pellets of compounds 7 ([2][Ni(mnt)(2)]) and 9 ([4][Ni(mnt)(2)]) are semiconducting, with a relatively large conductivity activation energy (0.85 and 1.13 eV). Crystals of 7 reveal the monodimensional nature of the compound. Each separate stack of [Ni(mnt)(2)](-) ions is flanked by two ferrocenium stacks. Ni-Ni distances alternate between 3.67 and 3.99 Angstrom.

  DOI：

  10.1021/om9603981
• 作为产物：
  描述：

  1,1'-二茂铁二甲醛 、 Dimethyl (1,3,4,6-tetrathiapentalen-2-yl)phosphonate 在 n-BuLi 、 NH₄Cl 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 以54%的产率得到1,1'-bis[(1,3-dithiolo[4,5-b][1,3]-dithiol-2-ylidene)methyl]ferrocene
  参考文献：
  名称：

  Paramagnetic and Semiconducting 1:1 Salts of 1,1‘-Disubstituted Ferrocenes and [Ni(mnt)₂]^-. Synthesis, Structure, and Physical Properties

  摘要：

  The ferrocene-based electron donors 1,1'-bis[2-(4-(methylthio)phenyl)-(E)-ethenyl]ferrocene (2), 1,1'-bis[2-(4-methoxyphenyl)-(E)-ethenyl]ferrocene (3), 1,1'-bis[(1,3-dithiolo[4,5-b][1,3]dithiol-2-ylidene)methyl]ferrocene (4), and 1,1'-bis[(1,3-benzodithiol-2-ylidene)methyl]ferrocene (5) were found to react with ferrocenium bis(maleonitriledithiolato)nickelate (1-) ([FeCp(2)](+)[Ni(mnt)(2)](-), 6) to afford the corresponding 1:1 paramagnetic salts 7-10, containing 1,1'-disubstituted ferrocenium derivatives. SQUID magnetic susceptibility measurements of these new compounds showed a behavior dominated by antiferromagnetic interactions within pairs of [Ni(mnt)(2)](-) ions. Pressed pellets of compounds 7 ([2][Ni(mnt)(2)]) and 9 ([4][Ni(mnt)(2)]) are semiconducting, with a relatively large conductivity activation energy (0.85 and 1.13 eV). Crystals of 7 reveal the monodimensional nature of the compound. Each separate stack of [Ni(mnt)(2)](-) ions is flanked by two ferrocenium stacks. Ni-Ni distances alternate between 3.67 and 3.99 Angstrom.

  DOI：

  10.1021/om9603981