[tetraethylammonium][57FeCl4] | 864863-44-5

• 英文名称: [tetraethylammonium][57FeCl4]
• 英文别名: [tetraethylammonium][⁵⁷FeCl4]；[NEt4][(57)FeCl4]
• CAS: 864863-44-5
• 化学式: C₈H₂₀N*Cl₄Fe
• 分子量: 329.066
• InChiKey: QOQUNYOKJSALRF-PUQAOBSFSA-J

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：

  [tetraethylammonium][57FeCl4] 、 N,N′-(6,6′-(((2-hydroxy-5-methyl-1,3-phenylene)bis(methylene)-bis((pyridin-2-ylmethyl)azanediyl))bis(methylene))bis(pyridine-6,2-diyl))bis(2,2-dimethylpropanamide) 在 四丁基高氯酸铵 作用下， 以 乙腈 为溶剂， 生成 [⁵⁷Fe^III₂(N,N′-(6,6′-(((2-hydroxy-5-methyl-1,3-phenylene)bis(methylene)-bis((pyridin-2-ylmethyl)azanediyl))bis(methylene))bis(pyridine-6,2-diyl))bis(2,2-dimethylpropanamide)(-H))(OH)]⁴⁺
  参考文献：
  名称：

  Spectroscopic Characterization of the Active Fe^IIIFe^III and Fe^IIIFe^II Forms of a Purple Acid Phosphatase Model System

  摘要：

  Two new dinucleating ligands (H3L2 and HL3), derivatives of a well-known dinucleating ligand (HL1) with two bis-picolylamine sites connected to a bridging phenolate, with hydrogen-bonding donor groups at two of the pyridine moieties were designed and synthesized. Design of these ligands suggests that they will lead to dinuclear complexes with potential to stabilize phosphoester substrates as monodentate rather than bridging ligands. We report the diferric complexes [Fe-2(III)(H2L2)(OH)(4+) and [Fe-2(III)(L-3)(OH)(OH2)(2)](4+), which have been characterized by spectrophotometric titrations, UV-vis, IR, NMR, EPR, and Mossbauer spectroscopy. The phosphatase activity of the diferric systems, in addition to the partially reduced heterovalent [(FeFeII)-Fe-III(L-3)(OH)(OH2)(2)](3+) complex, has been investigated, and the complexes are shown to catalytically hydrolyze the activated phosphodiester substrate BDNPP (bis-dinitrophenylphosphate) as well as the corresponding phosphomonoester substrate DNPP (dinitrophenylphosphate). The results indicate that indeed the secondary interactions lead to an increase of the phosphatase activity and to active phosphomonoesterase catalysts. Interestingly, the heterovalent form of the HL3-based complex is more efficient than the diferric complex, and this is also discussed.

  DOI：

  10.1021/ic301347t
• 作为产物：
  描述：

  四乙基氯化铵 、 iron(III) chloride 以 乙醇 为溶剂， 生成 [tetraethylammonium][57FeCl4]
  参考文献：
  名称：

  通过振动mossbauer，共振拉曼光谱和FT-IR光谱学分析FeCl4-和Fe2S2Cl42-的正态分析。

  摘要：

  [NEt（4）] [FeCl（4）]，[P（C（6）H（5））（4）] [FeCl（4）]和[NEt（4）]（2）[Fe（2 ）S（2）Cl（4）]已使用（57）Fe核共振振动光谱法（NRVS）进行了检查。这些复合物可作为金属蛋白中Fe-S簇的简单模型。（57）Fe部分振动态密度（PVDOS）光谱是通过假设Urey-Bradley力场的正常模态的计算，并利用红外光谱和拉曼光谱的附加信息来解释的。先前发布的力常数用作初始值；然后，将来自NRVS频率和幅度的新约束条件用于在非线性最小二乘法分析中完善力场参数。正常模式计算能够定量再现分子内模式（57）Fe PVDOS的频率和振幅。优化的弯曲力常数，拉伸和非键相互作用与先前报道的值非常吻合。此外，NRVS技术还允许清晰观察100 cm（-1）以下的阴离子-阳离子晶格模式，这是常规分光光度法不可或缺的。通过假定点质量阴离子和阳离子的整体运动或通过使

  DOI：

  10.1021/ic0482584

文献信息

• Octahedral Non-Heme Oxo and Non-Oxo Fe(IV) Complexes:  An Experimental/Theoretical Comparison
  作者：John F. Berry、Eckhard Bill、Eberhard Bothe、Frank Neese、Karl Wieghardt

  DOI：10.1021/ja063590v

  日期：2006.10.1

  Electron-transfer series are described for three ferric complexes of the pentadentate ligand 4,8,11-trimethyl-1,4,8,11-tetraazacyclotetradecane-1-acetate (Me(3)cyclam-acetate) with axial chloride, fluoride, and azide ligands. These complexes can all be reduced coulometrically to their Fe(II) analogs and oxidized reversibly to the corresponding Fe(IV) species. The Fe(II), Fe(III), and Fe(IV) species have been studied spectroscopically and their UV-vis, Mossbauer, EPR, and IR spectra are presented. The fluoro species [(Me(3)cyclam-acetate) FeF](n+) (n = 0, 1, 2) have been studied computationally using density functional theory (DFT), and the electronic structure of the Fe(IV) dication [(Me(3)cyclam-acetate) FeF](2+) is compared with that of the isoelectronic Fe(IV) oxo cation [(Me(3)cyclam-acetate) FeO](+); the different properties of the two species are mainly due to the significantly covalent Fe = O pi bonds in the latter.