[(C6(C4H2S2Co(pentamethylcyclopentadienyl))3)] | 1442692-39-8

• 英文名称: [(C6(C4H2S2Co(pentamethylcyclopentadienyl))3)]
• 英文别名: [(C₆(C₄H₂S₂Co(pentamethylcyclopentadienyl))₃)]
• CAS: 1442692-39-8
• 化学式: C₄₈H₅₁Co₃S₆
• 分子量: 997.309
• InChiKey: PKPMZTRUHYBBTR-UHFFFAOYSA-H

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：

  [(C6(C4H2S2Co(pentamethylcyclopentadienyl))3)] 在 sodium 作用下， 以 四氢呋喃 为溶剂， 生成 [(C₆(C₄H₂S₂Co(pentamethylcyclopentadienyl))₃)]^-
  参考文献：
  名称：

  π-Conjugated Trinuclear Group-9 Metalladithiolenes with a Triphenylene Backbone

  摘要：

  Previously, we synthesized pi-conjugated trinuclear metalladithiolene complexes based on benzenehexathiol (j. Chem. Soc., Dalton Trans. 1998, 2641; Dalton Trans. 2009, 1939; Inorg. Chem. 2011, 50, 6856). Here we report trinuclear complexes with a triphenylene backbone. A reaction with triphenylenehexathiol and group 9 metal precursors in the presence of triethylamine gives rise to trinuclear complexes 9-11. The planar structure of 11 is determined using single crystal X-ray diffraction analysis. The ligand-to-metal charge transfer bands of 9-11 move to longer wavelengths compared with those of mononuclear 12-14. Electrochemical measurements disclose that the one-electron and two-electron reduced mixed-valent states are stabilized thermodynamically. Uv-vis-NIR spectroscopy for the reduced species of 9 identifies intervalence charge transfer bands for 9(-) and 9(2-), substantiating the existence of electronic communication among the three metal nuclei. These observations prove that the triphenylene backbone transmits pi-conjugation among the three metalladithiolene units.

  DOI：

  10.1021/ic400110z
• 作为产物：
  描述：

  carbonyl(pentamethylcyclopentadienyl)cobalt diiodide 、 六巯基三亚苯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以28%的产率得到[(C6(C4H2S2Co(pentamethylcyclopentadienyl))3)]
  参考文献：
  名称：

  π-Conjugated Trinuclear Group-9 Metalladithiolenes with a Triphenylene Backbone

  摘要：

  Previously, we synthesized pi-conjugated trinuclear metalladithiolene complexes based on benzenehexathiol (j. Chem. Soc., Dalton Trans. 1998, 2641; Dalton Trans. 2009, 1939; Inorg. Chem. 2011, 50, 6856). Here we report trinuclear complexes with a triphenylene backbone. A reaction with triphenylenehexathiol and group 9 metal precursors in the presence of triethylamine gives rise to trinuclear complexes 9-11. The planar structure of 11 is determined using single crystal X-ray diffraction analysis. The ligand-to-metal charge transfer bands of 9-11 move to longer wavelengths compared with those of mononuclear 12-14. Electrochemical measurements disclose that the one-electron and two-electron reduced mixed-valent states are stabilized thermodynamically. Uv-vis-NIR spectroscopy for the reduced species of 9 identifies intervalence charge transfer bands for 9(-) and 9(2-), substantiating the existence of electronic communication among the three metal nuclei. These observations prove that the triphenylene backbone transmits pi-conjugation among the three metalladithiolene units.

  DOI：

  10.1021/ic400110z