Fe((nioximate(2-))3(B(C4H2SC4H3S))2) | 1242328-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: Fe((nioximate(2-))3(B(C4H2SC4H3S))2)
• 英文别名: Fe(II)((1,2-cyclohexanedione dioximate(2-))3(B(C4H2SC4H3S))2)；(3E,9E,14E,20E,24E,30E)-1,12-bis(5-thiophen-2-ylthiophen-2-yl)-2,11,13,22,23,32-hexaoxa-3,10,14,21,24,31-hexaza-1,12-diboranuidapentacyclo[10.10.10.04,9.015,20.025,30]dotriaconta-3,9,14,20,24,30-hexaene;iron(2+)
• CAS: 1242328-62-6
• 化学式: C₃₄H₃₄B₂FeN₆O₆S₄
• 分子量: 828.414
• InChiKey: CTGMSWOWGVYDCC-YGIJSTTDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.24
• 重原子数：
  53
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  243
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  Fe((nioximate(2-))3(B(C4H2SC4H3S))2) 在 (C₄H₉)4NPF₆ 、 Pt 作用下， 以 二氯甲烷 为溶剂， 生成 [Fe((nioximate(2-))3(B(C4H2SC4H2S))2)]n
  参考文献：
  名称：

  Layer-by-Layer Synthesis of Metal-Containing Conducting Polymers: Caged Metal Centers for Interlayer Charge Transport

  摘要：

  Metal-templated [2 + 3]-type cocondensation of a pi-extended boronic acid and nioxime furnished a series of cage molecules, which were electropolymerized to prepare metal-containing conducting polymers (MCPs). Despite sharing essentially isostructural organic scaffolds, these materials display metal-dependent electrochemical properties as evidenced by different redox windows observed for M = Co, Fe, Ru. Consecutive electropolymerization using two different monomers furnished bilayer MCPs having different metals in each layer. In addition to functioning as heavy atom markers in cross-sectional analysis by FIB and EDX, redox-active metal centers participate in voltage-dependent interlayer electron transport to give rise to cyclic voltammograms that are distinctively different from those of each layer alone or random copolymers. A simple electrochemical technique can thus be used as a straightforward diagnostic tool to investigate the structural ordering of electrically conductive layered materials.

  DOI：

  10.1021/ja104038s
• 作为产物：
  描述：

  铁粉 、 1,2-环已二酮二肟 、 2,2’-联噻吩-5-硼酸 以 甲醇 为溶剂， 生成 Fe((nioximate(2-))3(B(C4H2SC4H3S))2)
  参考文献：
  名称：

  Layer-by-Layer Synthesis of Metal-Containing Conducting Polymers: Caged Metal Centers for Interlayer Charge Transport

  摘要：

  Metal-templated [2 + 3]-type cocondensation of a pi-extended boronic acid and nioxime furnished a series of cage molecules, which were electropolymerized to prepare metal-containing conducting polymers (MCPs). Despite sharing essentially isostructural organic scaffolds, these materials display metal-dependent electrochemical properties as evidenced by different redox windows observed for M = Co, Fe, Ru. Consecutive electropolymerization using two different monomers furnished bilayer MCPs having different metals in each layer. In addition to functioning as heavy atom markers in cross-sectional analysis by FIB and EDX, redox-active metal centers participate in voltage-dependent interlayer electron transport to give rise to cyclic voltammograms that are distinctively different from those of each layer alone or random copolymers. A simple electrochemical technique can thus be used as a straightforward diagnostic tool to investigate the structural ordering of electrically conductive layered materials.

  DOI：

  10.1021/ja104038s