[Co(T(p-isopropyl)PP] | 463927-01-7

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: [Co(T(p-isopropyl)PP]
• 英文别名: (5,10,15,20-(tetra-4-isopropylphenyl)-21H,23H-porphinato)cobalt(II)
• CAS: 463927-01-7
• 化学式: C₅₆H₅₂CoN₄
• 分子量: 840.049
• InChiKey: KWTDWEKZEPDWMS-YUTFXDKVSA-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：

  [Co(T(p-isopropyl)PP] 、 1-N-methyl-2-(pyridin-4-yl)-3,4-fullero[60]pyrrolidine 以 甲苯 为溶剂， 生成 C₆₈H₁₀N₂*C₅₆H₅₂N₄^(2-)*Co⁽²⁺⁾
  参考文献：
  名称：

  通过光谱和电化学手段获得的钴（II）卟啉配合物和富勒[60]吡咯烷的供体-受体三联体的自组装机理

  摘要：

  摘要5,10,15,20-（四-4-异丙基苯基）21H，23H-卟啉（CoTIPP）与1-甲基-2-（4-（1H-咪唑-）的钴（II）反应的动力学和平衡1'-基）苯基）-和1-甲基-2-（吡啶-4'-基）-3,4-富勒[60]吡咯烷（分别为ImC 60和PyC 60）导致形成供体-受体研究了（ImC 60）2 CoTIPP /（PyC 60）2 CoTIPP超分子三联体。三联体的化学结构通过紫外，可见，红外，11 H NMR光谱；通过循环伏安法研究了它们的氧化还原行为。结果表明，三元组的形成伴随着前体氧化还原电位的变化，证明了供体和受体的π-系统之间的相互作用。结论是，对光伏电池可预测的稳定性的供体-受体系统的进一步研究应考虑所得结果。

  DOI：

  10.1134/s0036024420060060
• 作为产物：
  描述：

  C₆₈H₁₀N₂*C₅₆H₅₂N₄^(2-)*Co⁽²⁺⁾ 以 甲苯 为溶剂， 生成 [Co(T(p-isopropyl)PP] 、 1-N-methyl-2-(pyridin-4-yl)-3,4-fullero[60]pyrrolidine
  参考文献：
  名称：

  通过光谱和电化学手段获得的钴（II）卟啉配合物和富勒[60]吡咯烷的供体-受体三联体的自组装机理

  摘要：

  摘要5,10,15,20-（四-4-异丙基苯基）21H，23H-卟啉（CoTIPP）与1-甲基-2-（4-（1H-咪唑-）的钴（II）反应的动力学和平衡1'-基）苯基）-和1-甲基-2-（吡啶-4'-基）-3,4-富勒[60]吡咯烷（分别为ImC 60和PyC 60）导致形成供体-受体研究了（ImC 60）2 CoTIPP /（PyC 60）2 CoTIPP超分子三联体。三联体的化学结构通过紫外，可见，红外，11 H NMR光谱；通过循环伏安法研究了它们的氧化还原行为。结果表明，三元组的形成伴随着前体氧化还原电位的变化，证明了供体和受体的π-系统之间的相互作用。结论是，对光伏电池可预测的稳定性的供体-受体系统的进一步研究应考虑所得结果。

  DOI：

  10.1134/s0036024420060060

文献信息

• Kinetics of the Formation of Metalloporphyrins and the Catalytic Effect of Lead Ions and Hydrogen Ions
  作者：Yong Qi、Ji Gang Pan

  DOI：10.5012/bkcs.2014.35.11.3313

  日期：2014.11.20

  2014The reaction mechanism of Lead ions catalyzing complexation reactions between TIPP and metal ions wasinvestigated by researching the kinetics of the formation of metalloporphyrins by UV/Vis-spectra, and verifiedby exploring the formation of metalloporphyrins catalyzed by acetic acid. Kinetics studies suggested that thefluctuations of reaction rate indicated the formation of metalloporphyrin was step-wise

  E-mail: [e-mail]2014年3月17日收稿，2014年7月31日接受通过紫外/可见光谱研究金属卟啉形成的动力学，研究了铅离子催化TIPP与金属离子络合反应的反应机理，和通过探索乙酸催化金属卟啉的形成来验证。动力学研究表明，反应速率的波动表明金属卟啉的形成是逐步的，包括预平衡步骤（吡咯啉氮与 M
• Mechanism and Driving Force of NO Transfer from <i>S</i>-Nitrosothiol to Cobalt(II) Porphyrin:  A Detailed Thermodynamic and Kinetic Study
  作者：Xiao-Qing Zhu、Jian-Yu Zhang、Jin-Pei Cheng

  DOI：10.1021/ic061427v

  日期：2007.1.1

  The thermodynamics and kinetics of NO transfer from S-nitrosotriphenylmethanethiol (Ph3CSNO) to a series of alpha,beta,gamma,delta-tetraphenylporphinatocobalt(II) derivatives [T(G)PPCoII], generating the nitrosyl cobalt atom center adducts [T(G)(PPCoNO)-N-II], in benzonitrile were investigated using titration calorimetry and stopped-flow UV-vis spectrophotometry, respectively. The estimation of the energy change for each elementary step in the possible NO transfer pathways suggests that the most likely route is a concerted process of the homolytic S-NO bond dissociation and the formation of the Co-NO bond. The kinetic investigation on the NO transfer shows that the second-order rate constants at room temperature cover the range from 0.76 x 10(4) to 4.58 x 10(4) M-1 s(-1), and the reaction rate was mainly governed by activation enthalpy. Hammett-type linear free-energy analysis indicates that the NO moiety in Ph3CSNO is a Lewis acid and the T(G)PPCoII is a Lewis base; the main driving force for the NO transfer is electrostatic charge attraction rather than the spin-spin coupling interaction. The effective charge distribution on the cobalt atom in the cobalt porphyrin at the various stages, the reactant [T(G)PPCoII], the transition-state, and the product [T(G)(PPCoNO)-N-II], was estimated to show that the cobalt atom carries relative effective positive charges of 2.000 in the reactant [T(G)PPCoII], 2.350 in the transition state, and 2.503 in the product [T(G)(PPCoNO)-N-II], which indicates that the concerted NO transfer from Ph3CSNO to T(G)PPCoII with the release of the Ph3CS center dot radical was actually performed by the initial negative charge (-0.350) transfer from T(G)PPCoII to Ph3CSNO to form the transition state and was followed by homolytic S-NO bond dissociation of Ph3CSNO with a further negative charge (-0.153) transfer from T(G)PPCoII to the NO group to form the final product T(G)(PPCoNO)-N-II. It is evident that these important thermodynamic and kinetic results would be helpful in understanding the nature of the interaction between RSNO and metal porphyrins in both chemical and biochemical systems.