{Co(2,3,9,10-tetramethyl-1,4,8,11-tetraazacyclotetradeca-1,3,8,10-tetraene)Br2}Br | 39177-15-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: {Co(2,3,9,10-tetramethyl-1,4,8,11-tetraazacyclotetradeca-1,3,8,10-tetraene)Br2}Br
• 英文别名: [Co(TIM)Br2]Br
• CAS: 39177-15-6
• 化学式: Br*C₁₄H₂₄Br₂CoN₄
• 分子量: 547.077
• InChiKey: BJELESCSUWPESM-AMWMUADBSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  {Co(2,3,9,10-tetramethyl-1,4,8,11-tetraazacyclotetradeca-1,3,8,10-tetraene)Br2}Br 以 乙腈 为溶剂， 生成 cobalt(II) (2,3,9,10-tetramethyl-1,4,8,11-tetraazacyclotetradeca-1,3,8,10-tetraene)(2+)
  参考文献：
  名称：

  Fujita, Etsuko; Creutz, Carol; Sutin, Norman, Journal of the American Chemical Society, 1991, vol. 113, # 1, p. 343 - 353

  摘要：

  DOI：

文献信息

• Buffer Assists Electrocatalytic Nitrite Reduction by a Cobalt Macrocycle Complex
  作者：Sarah E. Braley、Hyuk-Yong Kwon、Song Xu、Evan Z. Dalton、Elena Jakubikova、Jeremy M. Smith

  DOI：10.1021/acs.inorgchem.2c00909

  日期：2022.8.22

  This work reports a combined experimental and computational study of the activation of an otherwise catalytically inactive cobalt complex, [Co(TIM)Br2]+, for aqueous nitrite reduction. The presence of phosphate buffer leads to efficient electrocatalysis, with rapid reduction to ammonium occurring close to the thermodynamic potential and with high Faradaic efficiency. At neutral pH, increasing buffer

  这项工作报告了对在其他方面无催化活性的钴络合物 [Co(TIM)Br 2 ] +的活化用于亚硝酸盐水溶液还原的综合实验和计算研究。磷酸盐缓冲液的存在导致有效的电催化，在接近热力学势和法拉第效率的情况下快速还原为铵。在中性 pH 值下，增加缓冲液浓度会增加催化电流，同时降低过电势，尽管高浓度会产生抑制作用。可控电位电解和旋转环盘电极实验表明铵是由亚硝酸盐通过[Co(TIM)Br 2 ] +直接制得的。，以及羟胺。机理研究表明磷酸盐缓冲液的重要作用，特别是作为质子穿梭，尽管高缓冲液浓度会抑制催化作用。这些结果表明缓冲剂在设计用于氮氧化物转化的电催化剂中的作用。
• Electrocatalytic Hydrogen Evolution in Acidic Water with Molecular Cobalt Tetraazamacrocycles
  作者：Charles C. L. McCrory、Christopher Uyeda、Jonas C. Peters

  DOI：10.1021/ja210661k

  日期：2012.2.15

  A series of water-soluble molecular cobalt complexes of tetraazamacrocyclic ligands are reported for the electrocatalytic production of H-2 from pH 2.2 aqueous solutions. The comparative data reported for this family of complexes shed light on their relative efficiencies for hydrogen evolution in water. Rotating disk electrode voltammetry data are presented for each of the complexes discussed, as are data concerning their respective pH-dependent electrocatalytic activity. In particular, two difinine-dioxline complexes were identified as exhibiting catalytic onset at comparatively low overpotentials relative to other reported homogeneous cobalt and nickel electrocatalysts in aqueous solution. These complexes are stable at pH 2.2 and produce hydrogen with high Faradaic efficiency in bulk electrolysis experiments over time intervals ranging from 2 to 24 h.