2-chloroethyl(2,3,7,8,12,13,17,18-oktakis(ethylthio)porphyrazine)iron(III) | 1055219-24-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-chloroethyl(2,3,7,8,12,13,17,18-oktakis(ethylthio)porphyrazine)iron(III)
• CAS: 1055219-24-3
• 化学式: C₃₄H₄₄ClFeN₈OS₈
• 分子量: 928.604
• InChiKey: QVOPIQNYOMJJMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  2-chloroethyl(2,3,7,8,12,13,17,18-oktakis(ethylthio)porphyrazine)iron(III) 、 水 以 氯仿 、 水 为溶剂， 生成 (μ-oxo)bis(2,3,7,8,12,13,17,18-oktakis(ethylthio)porphyrazine)diiron(III)
  参考文献：
  名称：

  Electrochemical and Spectroscopic Behavior of Iron(III) Porphyrazines in Langmuir−Schäfer Films

  摘要：

  Thin films of a newly synthesized iron(III) porphyrazine, LFeOESPz (L = ClEtO, OESPz = ethylsulfanylporphyrazine), have been deposited by the Langmuir-Schafer (LS) technique (horizontal lifting) on ITO or gold substrates. Before deposition, the floating films have been investigated at the air-water interface by pressure/area per molecule (pi/A) experiments, Brewster angle microscopy (BAM) and UV-vis reflection spectroscopy (RefSpec). The complex reacts with water subphase (pH 6.2) forming the mu-oxo dimer, which becomes the predominant component of the LS films (LS-Fe) as indicated by optical, IR, XPS, and electrochemical data. LS-Fe multilayers exhibit, between open circuit potential (OCP) and +0.90 V (vs SCE), two independent peak pairs with formal potentials, E-surf (1) and E-surf(II) of +0.56 V and +0.78 V, respectively. According to dynamic voltammetric and coulometric experiments the peak pair at +0.56 V is attributed to one-electron process at the iron(III) centers on the monomer, while the peak pair at +0.78 V is associated to a four-electron process involving mu-oxo-dimer oligomers. LS-Fe films prove to be quite stable electrochemically between OCP and +0.90 V. The electrochemical stability decreases, however, when the potential range is extended both anodically and cathodically outside these limits, due to formation of new species. Upon incubation with TCA solutions, LS-Fe films show remarkable changes in the UV-vis spectra, which are consistent with a significant mu-oxo dimer -> monomer conversion. Addition of TCA to the electrochemical cell using a LS-Fe film as working electrode, results in a linear increase of a cathodic current peak near -0.40 V as the TCA concentration varies in the 0.1-2.0 mM range. This behavior is interpreted in terms of TCA inducing a progressive change in the composition of the LS-Fe films in favor of the monomeric iron(III) porphyrazine, which is responsible for the observed increase in the cathodic current near -0.40 V.

  DOI：

  10.1021/jp803418b
• 作为产物：
  描述：

  2-氯乙醇 、 iron(II) bromide 、 2,3,7,8,12,13,17,18-octakis(ethylsulfanyl)-5,10,15,20-porphyrazine 在 symmetric collidine 作用下， 反应 8.0h， 以40%的产率得到2-chloroethyl(2,3,7,8,12,13,17,18-oktakis(ethylthio)porphyrazine)iron(III)
  参考文献：
  名称：

  Synthesis, coordination chemistry, and physico-chemical properties of the 2-chloroethoxy-iron(III)(ethylthio) porphyrazine

  摘要：

  八(乙硫基)卟嗪 ( H 2 OESPz ) 与 FeBr 2 在 ClCH 2 CH 2 OH 溶液中于 135 ℃ 发生反应，生成了 2-氯乙氧基铁(III)-(乙硫基)卟嗪，( ClCH 2 CH 2 O ) Fe III OESPz ，( LFe III OESPz ) ，收率很高。研究了该配合物及其 μ-oxo 二聚体衍生物 [ Fe III OESPz ]2 O 的光谱、氧化还原和配位性质，并将其与铁（III）卟啉类似物的光谱、氧化还原和配位性质进行了比较。

  DOI：

  10.1142/s1088424613500685