iron 2,9,16,23-tetrakis(tert-butyl)phthalocyanine | 78452-92-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: iron 2,9,16,23-tetrakis(tert-butyl)phthalocyanine
• 英文别名: (4-t-Bu)4PcFe；(2,9,16,23-tetra-tert-butylphthalocyaninato)iron(II)；iron(II) 2,9,16,23-tetra-tert-butyl-phthalocyanine；[Fe(Pc(4-tetra-butyl)4)]；FePc(tBu)4；Iron(II) 2,9,16,23-tetra-tert-butylphthalocyanine；iron(2+);6,15,24,33-tetratert-butyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• CAS: 78452-92-3
• 化学式: C₄₈H₄₈FeN₈
• 分子量: 792.81
• InChiKey: GODWLBBKCVICNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.31
• 重原子数：
  57
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  iron 2,9,16,23-tetrakis(tert-butyl)phthalocyanine 在 吡啶 作用下， 以 吡啶 为溶剂， 以51%的产率得到(2,9,16,23-tetra-tert-butylphthalocyaninato)bis(pyridine)iron(II)
  参考文献：
  名称：

  Metz, Josef; Schneider, Otto; Hanack, Michael, Inorganic Chemistry, 1984, vol. 23, # 8, p. 1065 - 1071

  摘要：

  DOI：
• 作为产物：
  描述：

  以 solid 为溶剂， 生成 iron 2,9,16,23-tetrakis(tert-butyl)phthalocyanine
  参考文献：
  名称：

  Metz, Josef; Schneider, Otto; Hanack, Michael, Inorganic Chemistry, 1984, vol. 23, # 8, p. 1065 - 1071

  摘要：

  DOI：

文献信息

• The first push-pull μ-nitrido iron phthalocyanine dimer
  作者：Ümit İşci

  DOI：10.1142/s1088424613500880

  日期：2013.10

  The first push-pull μ-nitrido diiron phthalocyanine complex was prepared and characterized. The EPR spectrum confirms the Fe +3.5– N – Fe +3.5 formalism. The stability of this dimer in oxidant media (up to 1000 equivalent of H 2 O 2) was studied by UV-vis spectroscopy. The push-pull μ-nitrido diiron phthalocyanine exhibited excellent stability because of the delocalization of an unpaired electron.

  制备并表征了第一个推拉式μ-亚硝基二铁酞菁配合物。EPR 光谱证实了 Fe+3.5– N – 铁+3.5形式主义。这种二聚体在氧化剂介质中的稳定性（高达 1000 当量的 H2○2) 通过紫外-可见分光光度法进行研究。由于未配对电子的离域，推挽式μ-亚硝基二铁酞菁表现出优异的稳定性。
• Facile synthesis, spectroscopy and electrochemical activity of two substituted iron phthalocyanines as oxygen reduction catalysts in an acidic environment
  作者：Ryan Baker、David P. Wilkinson、Jiujun Zhang

  DOI：10.1016/j.electacta.2008.12.003

  日期：2009.4

  facile synthesis. Successful synthesis was confirmed using UV–Vis spectroscopy as well as matrix-assisted laser desorption/ionization time of flight (MALDI-TOF) mass spectroscopy. These two substituted iron phthalocyanines were characterized using cyclic voltammetry (CV) and their electrocatalytic activities towards the oxygen reduction reaction (ORR) were evaluated using rotating disk electrode (RDE) techniques

  合成了两个取代的酞菁铁大环化合物，并将其作为酸性或质子交换膜（PEM）燃料电池样环境中的氧还原电催化剂进行了评估。所述非贵金属，过渡金属大环铁（II）2,9,16,23-四-叔丁基酞菁（酞菁铁（TBU）4），和铁（II）2,11,20,29四-叔丁基-2,3-萘酞菁（FeNpPc（tBu）4）是通过容易的合成制备的。紫外-可见光谱以及基质辅助激光解吸/电离飞行时间（MALDI-TOF）质谱证实了成功的合成。使用循环伏安法（CV）对这两个取代的铁酞菁进行了表征，并使用旋转圆盘电极（RDE）技术评估了它们对氧还原反应（ORR）的电催化活性。将这些取代的酞菁铁的ORR活性与未取代的酞菁铁（III）的ORR活性进行了比较。FeNpPc（tBu）4的RDE迹线表示2电子ORR机理，其中O 2主要还原为H 2 O 2。这与FePc，FeNpPc和FePc（tBu）相反图4所示的电子ORR机理主要为4或2和4的混合。
• ——
  作者：N. G. Mekhryakova、T. Yu. Gulina、V. D. Li、N. I. Bundina、O. L. Kaliya、E. A. Luk'yanets

  DOI：10.1023/a:1012339419834

  日期：——

  Reaction of iron tetra-4-tert-butylphthalocyanine ((PcFe)-Fe-t) with oxygen in noncoordinating solvents at (PcFe)-Fe-t concentrations within (0.63-10.71) x 10(-2) M was studied. The uptake or oxygen (moles per mole of iron phthalocyanine taken into reaction) depends on the concentration of the complex, varying in the examined concentration range from 1/5 to 1/2.7, and thus can significantly differ from the Value implied by the stoichiometry of the (PcFe)-Fe-t mu -oxo dimer. This fact is due to consumption of the reactants in side processes, including, oxidative degradation of the macroring. Indeed, the mu -oxo dimer is the major but not the only product of reaction of (PcFe)-Fe-t with oxygen: Up to 20% of the initial complex undergoes oxidative degradation. These data, in combination with the spectral and chemical properties or the (PcFe)-Fe-t mu -oxo dimer, suggest that this compound is an Fe(2+) derivative.