{Fe(ethylenediaminetetraacatate)(H2O)}(2-) | 1120563-88-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: {Fe(ethylenediaminetetraacatate)(H2O)}(2-)
• CAS: 1120563-88-3；335087-14-4；132019-10-4；152143-06-1；163182-59-0
• 化学式: C₁₀H₁₂N₂O₈*Fe*H₂O
• 分子量: 362.076
• InChiKey: LPDPZZGIMIKJHQ-UHFFFAOYSA-J

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：
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反应信息

• 作为反应物：
  描述：

  {Fe(ethylenediaminetetraacatate)(H2O)}(2-) 在 亚硝酸 、 Nitrite 作用下， 以 水 为溶剂， 生成 铁(III)-乙二胺四乙酸 、 iron(II) ethylenediaminetetraacetic acid*NO
  参考文献：
  名称：

  Zang; Van Eldik, Inorganic Chemistry, 1990, vol. 29, # 22, p. 4462 - 4468

  摘要：

  DOI：
• 作为产物：
  描述：

  乙二胺四乙酸 铁(III) 钠盐 水合物 在 高氯酸 作用下， 以 水 为溶剂， 生成 {Fe(ethylenediaminetetraacatate)(H2O)}(2-)
  参考文献：
  名称：

  Dimmock, Paul W.; McGinnis, Joseph; Ooi, Bee-Lean, Inorganic Chemistry, 1990, vol. 29, # 5, p. 1085 - 1089

  摘要：

  DOI：

文献信息

• Thermodynamics and kinetics of RuIII(edta) as an efficient scavenger for nitric oxide in aqueous solution
  作者：Alicja Wanat、Thorsten Schneppensieper、Andrzej Karocki、Grazyna Stochel、Rudi van Eldik

  DOI：10.1039/b108236c

  日期：2002.3.8

  The edta complex of RuIII reacts very rapidly with NO in aqueous solution at pH = 5 to form a stable nitrosyl complex. The results from FT-IR (ATR) and 15N-NMR studies clearly support the NO+ character of coordinated NO, such that the nitrosyl product can be formulated as [RuII(edta)NO]+. A combination of UV-Vis spectroscopy and electrochemical detection of NO was used to determine the overall equilibrium

  Ru III的EDTA络合物与NO在pH = 5的水溶液中反应非常迅速，从而形成稳定的亚硝酰基络合物。结果来自红外光谱 （ATR）和 15 N核磁共振研究清楚地支持了配位NO的NO +特性，因此亚硝酰基产物可以配制成[Ru II（EDTA）NO] +。结合紫外可见 光谱学 和 电化学检测在25°C和pH = 5.0的条件下，使用NO的总和确定总平衡常数K NO为（9.1±1.2）×10 7 M -1。上的醋酸缓冲溶液的反应停流动力学研究的[Ru III（EDTA）H 2 O] -具有NO给ķ上值两个数量级比在文献中报道为的结果下缓冲效果。在低pH和高pH下确定的k on值，即。3.8×10 4 和1.2×10 5 M -1 s -1分别显着小于pH = 5.0时的值，这与Ru III（EDTA）与其他进入的亲核试剂的取代反应所观察到的一致。尝试确定ķ上为NO的所述结合的[Ru III（EDTA）H
• Kinetics of the reduction of cytochrome c by [Fe^II(edta)(H₂O)]²⁻: outer-sphere vs. inner-sphere electron transfer mechanisms
  作者：Joanna Macyk、Rudi van Eldik

  DOI：10.1039/b301424j

  日期：——

  The reduction of horse heart cytochrome cIII by [FeII(edta)(H2O)]2−[FeII(edta)(H2O)]2− + [cytochrome cIII]7+ → [FeIII(edta)(H2O)]− + [cytochrome cII]6+ was reinvestigated as a function of all chemical and physical variables. Possible electrostatic interaction between the oppositely charged redox partners can assist the electron transfer process. Rate and activation parameters determined in the study

  [Fe II（edta）（H 2 O）] 2-还原马心脏细胞色素c III[Fe II（edta）（H 2 O）] 2- + [细胞色素c III ] 7 + →[Fe III（edta）（H 2 O）] - + [细胞色素c II ] 6+根据所有化学和物理变量进行了重新研究。带相反电荷的氧化还原伙伴之间可能的静电相互作用可以帮助电子转移过程。在研究中确定的速率和活化参数将参考文献报道进行讨论，并与基于Marcus-Hush理论的外层电子转移反应的理论计算进行比较。由于[Fe II（edta）（H 2 O）] 2-上存在非常不稳定的水配体，因此该反应也可以用内球机理来解释。在高压下进行的实验揭示了与电子转移过程相关的体积变化方面的其他机理信息。
• Kinetics, Mechanism, and Spectroscopy of the Reversible Binding of Nitric Oxide to Aquated Iron(II). An Undergraduate Text Book Reaction Revisited
  作者：Alicja Wanat、Thorsten Schneppensieper、Grażyna Stochel、Rudi van Eldik、Eckhard Bill、Karl Wieghardt

  DOI：10.1021/ic010628q

  日期：2002.1.1

  A detailed kinetic and mechanistic analysis of the classical "brown-ring" reaction of [Fe(H2O)(6)](2+) with NO was performed using stopped-flow and laser flash photolysis techniques at ambient and high pressure. The kinetic parameters for the "on" and "off" reactions at 25 degreesC were found to be k(on) = 1.42 x 10(6) M-1 s(-1), DeltaH(on)(double dagger) = 37.1 +/- 0.5 kJ mol (-1), DeltaS(on)(double dagger) = -3 +/- 2 J K-1 mol(-1), DeltaV(on)(double dagger) = + 6.1 +/- 0.4 cm(3) mol(-1), and k(off) = 3240 +/- 750 s(-1), Delta(off)(double dagger) = 48.4 +/- 1.4 kJ mol(-1), DeltaS(off)(double dagger) = -15 +/- 5 J K-1 mol-1, DeltaV(off)(double dagger) = +1.3 +/- 0.2 cm(3) mol(-1). These parameters suggest that both reactions follow an interchange dissociative (I-d) ligand substitution mechanism, which correlates well with the suggested mechanism for the water exchange reaction on [Fe(H2O)(6)](2+). In addition, Mossbauer spectroscopy and EPR measurements were performed on the reaction product [Fe(H2O)(5)(NO)](2+). The Mossbauer and EPR parameters closely resemble those of the FeNO}(7) units in any of the other well-characterized nitrosyl complexes. It is concluded that its electronic structure is best described by the presence of high-spin Fe-III antiferromagnetically coupled to NO- (S = 1) yielding the observed spin quartet ground state (S= 3/2), i.e., [Fe-III(H2O)(5)(NO-)](2+), and not [Fe-I(H(2)0)(5)(N0(-))](2+) as usually quoted in undergraduate text books.
• Influence of Fluoride on the Reversible Binding of NO by [Fe^II(EDTA)(H₂O)]²⁻. Inhibition of Autoxidation of [Fe^II(EDTA)(H₂O)]²⁻
  作者：Joachim Maigut、Roland Meier、Rudi van Eldik

  DOI：10.1021/ic800378c

  日期：2008.7.1

  The promising BioDeNO(x) process for NO removal from gaseous effluents suffers from an unsolved problem that results from the oxygen sensitivity of the Fe-II-aminopolycarboxylate complexes used in the absorber unit to bind NO(g). The utilized [Fe-II(EDTA)(H2O)](2-) complex is extremely oxygen sensitive and easily oxidized to give a totally inactive [Fe-III(EDTA)(H2O)](-) species toward the binding of NO(g). We found that an in situ formed, less-oxygen-sensitive mixed-ligand complex, [Fe-II(EDTA)(F)](3-), still reacts quantitatively with NO(g). The formation constant for the mixed ligand complex was determined spectrophotometrically. For [Fe-III(EDTA)(F)](2-) we found log K-MLF(F) = 1.7 +/- 0.1. The [Fe-II(EDTA)(F)](3-) complex has a smaller value of log K-MLF(F) = 1.3 +/- 0.2. The presence of fluoride does not affect the reversible binding of NO(g). Even over extended periods of time and fluoride concentrations of up to 1.0 M, the nitrosyl complex does not undergo any significant decomposition. The [Fe-III(EDTA)(NO-)](2-) complex releases bound NO on passing nitrogen through the solution to form [Fe-II(EDTA)(H2O)](2-) almost completely. A reaction cycle is feasible in which fluoride inhibits the autoxidation of [Fe-II(EDTA)(H2O)](2-) during the reversible binding of NO(g).