[Co^II(2,12-dimethyl-3,7,11,17-tetraazabicyclo-[11.3.1]-heptadeca-1(7),2,11,13,15-pentaene)(Br)]Br*0.5H2O | 168192-20-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: [Co^II(2,12-dimethyl-3,7,11,17-tetraazabicyclo-[11.3.1]-heptadeca-1(7),2,11,13,15-pentaene)(Br)]Br*0.5H2O
• CAS: 168192-20-9；28301-11-3
• 化学式: C₁₅H₂₂Br₂CoN₄*H₂O
• 分子量: 495.183
• InChiKey: XKSIJYLCTXSCDE-UXJFZDSNSA-L

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：

  [Co^II(2,12-dimethyl-3,7,11,17-tetraazabicyclo-[11.3.1]-heptadeca-1(7),2,11,13,15-pentaene)(Br)]Br*0.5H2O 在 NaBH₄ 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  .sigma.-Bonded organic derivatives of a cobalt(III) macrocyclic complex

  摘要：

  DOI：

  10.1021/ja01040a018
• 作为产物：
  描述：

  3,3'-二氨基二丙基胺 、 2,6-二乙酰基吡啶 、 水 、 cobalt(II) bromide 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以84%的产率得到[Co^II(2,12-dimethyl-3,7,11,17-tetraazabicyclo-[11.3.1]-heptadeca-1(7),2,11,13,15-pentaene)(Br)]Br*0.5H2O
  参考文献：
  名称：

  Studies of Cobalt-Mediated Electrocatalytic CO₂ Reduction Using a Redox-Active Ligand

  摘要：

  The cobalt complex [(CoN4H)-N-III(Br)(2)](+) (N4H = 2,12-dimethyl-3,7,11,17 -tetraazabicyclo-[11.3.1]-heptadeca-1(7),2,11,13,15-pentaene) was used for electrocatalytic CO2 reduction in wet MeCN with a glassy carbon working electrode. When water was employed as the proton source (10 M in MeCN), CO was produced (f(CO) = 45% +/- 6.4) near the Co-1/0 redox couple for [(CoN4H)-N-III(Br)(2)](+) (E-1/2 = -1.88 V FeCp2+/0) with simultaneous H-2 evolution (f(H2) = 30% +/- 7.8). Moreover, we successfully demonstrated that the catalytically active species is homogeneous through the use of control experiments and XPS studies of the working glassy-carbon electrodes. As determined by cyclic voltammetry, CO2 catalysis occurred near the formal Co-1/0 redox couple, and attempts were made to isolate the triply reduced compound ("[(CoN4H)-N-0]"). Instead, the doubly reduced ("Co-1") compounds [CoN4] and [CoN4H(MeCN)](+) were isolated and characterized by X-ray crystallography. Their molecular structures prompted DFT studies to illuminate details regarding their electronic structure. The results indicate that reducing equivalents are stored on the ligand, implicating redox noninnocence in the ligands for H-2 evolution and CO2 reduction electrocatalysis.

  DOI：

  10.1021/ic403122j

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Co: Org.Verb.1, 1.1.1.12.2, page 41 - 42
  作者：

  DOI：——

  日期：——
• Organic derivatives of a cobalt(III) macrocylic complex
  作者：Ei-ichiro Ochiai、Daryle H. Busch

  DOI：10.1039/c19680000905

  日期：——