hexaaquairon(III) | 847043-81-6

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属有机体
• 英文名称: hexaaquairon(III)
• 英文别名: {Fe(water)6}(3+)；ferric hexaaquo ion；hexaaqua Fe(3+)；hexaaqua iron(III) complex；hexaaquairon(III)(3+)；[Fe(III)(water)6](3+)；hexaaquo iron(3+)；(iron)(H2O)6(3+)；Iron(3+);hexahydrate；iron(3+);hexahydrate
• CAS: 847043-81-6
• 化学式: FeH₁₂O₆
• 分子量: 163.939
• InChiKey: GZGMUETXLPBYAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.95
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  6
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  hexaaquairon(III) 在 propionic acid 作用下， 以 重水 为溶剂， 生成 Fe(water)6(2+)
  参考文献：
  名称：

  过渡金属离子辅助光化学从羧酸中生成烷基卤和烃†

  摘要：

  水溶液的近紫外光解 丙酸在没有氧气的情况下，Fe 3+水溶液会生成碳氢化合物的混合物（乙烷，乙烯和 丁烷），二氧化碳和Fe 2+。在氧气的存在下，该反应变为轻度催化（约五次转换），将一部分烷基自由基转化为可氧化的中间产物，从而使Fe 2+再氧化。在卤离子的存在下，光化学（X - =氯- ，溴- ）生成乙基卤化物经由卤素原子从FEX抽象Ñ 3- Ñ由乙基。的C接近定量的产率2 ħ 5 X在≥0.05MX获得- 。Co（NH 3）5 Br 2+的竞争实验提供了乙基与FeCl 2+（k =（4.0±0.5）×10 6 M -1 s -1）和FeBr 2+（k =（3.0±0.5）×10 7 M -1）反应的动力学数据s -1）。的光化学脱羧丙酸在Cu 2+存在下会生成乙烯和Cu +。长链酸也可作为专有产品生成α烯烃。这些反应在不断吹扫氧气的过程中起催化作用，氧气起着双重作用。它可将Cu +再氧化为Cu

  DOI：

  10.1039/c2dt30210a
• 作为产物：
  描述：

  Fe(water)6(2+) 在 protonated methylene blue 作用下， 生成 hexaaquairon(III)
  参考文献：
  名称：

  铁（II）配合物猝灭质子化三重态亚甲基蓝时，猝灭速率的温度依赖性和正向和反向电子净转移效率

  摘要：

  DOI：

  10.1021/j100392a014
• 作为试剂：
  描述：

  在 高氯酸 、 hexaaquairon(III) 作用下， 以 水 为溶剂， 生成 ABTS radical cation
  参考文献：
  名称：

  Spectroscopic parameters, electrode potentials, acid ionization constants, and electron exchange rates of the 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate) radicals and ions

  摘要：

  The characteristics of the colorless ABTS2- ion [ABTS - 2,2-azinobis(3-ethylbenzothiazoline-6-sulfonate)] and of the persistent, intensely-colored radical ABTS- have been examined since some reported values are in disagreement. The standard reduction potentials of ABTS-/ABTS2- and ABTS.-/HABTS- are 0.68 and 0.81 V vs NHE, respectively. A second wave in the CV is associated with ABTS.-/ABTS.-, E1/2 = 1/09 V. The pH dependence of E-degrees leads to pK(a)(HABTS-) = 2.2 +/- 0.3; a spectrophotometric pH titration gives 2.08 +/- 0.02 at mu = 1.0 M. The protonated radical HABTS' was not detected (pK(a) < 0), consistent with the higher acidity of the radical relative to its reduced precursor. The EPR spectrum of ABTS.- shows a multiline spectrum centered at g = 2.0036 +/- 0.0004 from the hyperfine coupling to two sets of two equivalent nitrogens as well as six aromatic hydrogens. Line broadening of the methyl and aromatic resonances of ABTS2- in the presence of the radical gives an electron exchange rate constant of (4 +/- 1) x 10(7) L mol-1 s-1 for ABTS2-/ABTS.- in neutral aqueous solution. In 1.0 M perchloric acid, Fe3+ oxidizes HABTS- (k = 1.30 x 10(2) L mol-1 s-1) and Fe2+ reduces ABTS- (k = 7.5 x 10(2)L mol-1 s-1). Although the equilibrium constant K = k(f)/k(r) for the reaction agrees with that predicted by the measured potentials, the individual rate constants are much lower than those one calculates from the Marcus cross-relation, which is typical for reactions of Fe(H2O)63+ and Fe(H2O)62+.

  DOI：

  10.1021/j100127a022

文献信息

• One- Versus Two-Electron Oxidation with Peroxomonosulfate Ion: Reactions with Iron(II), Vanadium(IV), Halide Ions, and Photoreaction with Cerium(III)
  作者：Gábor Lente、József Kalmár、Zsuzsa Baranyai、Alíz Kun、Ildikó Kék、Dávid Bajusz、Marcell Takács、Lilla Veres、István Fábián

  DOI：10.1021/ic801569k

  日期：2009.2.16

  The kinetics of the redox reactions of the peroxomonosulfate ion (HSO5−) with iron(II), vanadium(IV), cerium(III), chloride, bromide, and iodide ions were studied. Cerium(III) is only oxidized upon illumination by UV light and cerium(IV) is produced in a photoreaction with a quantum yield of 0.33 ± 0.03. Iron(II) and vanadium(IV) are most probably oxidized through one-electron transfer producing sulfate

  过一硫酸盐离子的氧化还原反应的（HSO动力学5 - ）与铁（II），钒（IV），铈（III），氯化物，溴化物，和碘化物离子进行了研究。铈（III）仅在紫外线照射下被氧化，铈（IV）在光反应中产生，量子产率为0.33±0.03。铁（II）和钒（IV）最有可能通过单电子转移被氧化，产生硫酸盐离子自由基作为中间体。卤化物离子在形式上为两个电子的过程中被氧化，这很可能包括氧原子的转移。与文献数据的比较表明，活化熵可能被用来作为指标，HSO的氧化还原反应的过氧键的异裂和均裂区分5 - 。
• Evidence for multistep reactions in the iron (III) catalysed autoxidation of sulphur (IV) oxides: possible steps during acid rain formation
  作者：Jochen Kraft、Rudi van Eldik

  DOI：10.1039/c39890000790

  日期：——

  Kinetic and spectroscopic evidence is presented for the formation and decomposition of iron (III)–sulphur(IV) transients during the iron(III) catalysed autoxidation of sulphur (IV) oxides in aqueous solution, for which four different reaction steps could be identified.

  动力学和光谱证据提出了一种用于铁的形成和分解（III）-sulphur（IV）中的铁在瞬变（III）的硫的催化自氧化（IV）的水溶液，为此，四个不同的反应步骤可以被鉴定的氧化物。
• Salt effects in the kinetics of the formation of the iron(III) thiocyanate complex
  作者：María J. Capitán、Ernestina Muñoz、María M. Graciani、Rafael Jiménez、Ignacio Tejera、Francisco Sánchez

  DOI：10.1039/f19898504193

  日期：——

  The reaction between iron(III) and thiocyanate ions has been studied in several electrolyte solutions over the concentration range 0–6 mol dm–3. The observed positive kinetic salt effects may be interpreted as arising as a result of ion–solvent interactions. Support for these conclusions comes from an examination of the activity coefficients of species estimated from the treatment given by Pitzer.

  研究了铁(III)和硫氰酸根离子在几种电解质溶液中的反应，浓度范围为 0-6 mol dm-3。观察到的正动力学盐效应可解释为离子与溶剂相互作用的结果。对根据 Pitzer 的处理方法估算出的物种活性系数的研究也支持这些结论。
• Solution properties of the cuboidal mixed-metal cluster [Mo3NiS4(H2O)10]4+ including complexing (at Ni) and redox properties
  作者：Paul W. Dimmock、Gert J. Lamprecht、A. Geoffrey Sykes

  DOI：10.1039/dt9910000955

  日期：——

  The green-blue complex [Mo3NiS4(H2O)10]4+ has been prepared by NaBH4 reduction of a 1:10 solution of [Mo3S4(H2O)9]4+ and NiCl2·6H2O in 0.5 M HCl, and purified by Dowex 50W-X2 cation-exchange chromatography. Solutions (0.1–2.0 mM) in 2 M HClO4 obey Beer's law, consistent with the single cube formulation. Complexation equilibration reactions, Mo3NiS44++ X–⇌ Mo3NiS4X3+, studied by stopped-flow spectrophotometry

  通过NaBH 4还原[Mo 3 S 4（H 2 O）9 ] 4+和NiCl 2的1:10溶液，可以制备绿-蓝络合物[Mo 3 NiS 4（H 2 O）10 ] 4+。 ·在0.5 M HCl中的6H 2 O，并通过Dowex 50W-X2阳离子交换色谱法纯化。2 M HClO 4中的溶液（0.1–2.0 mM）符合比尔定律，与单立方配方一致。络合平衡反应，MO 3的NiS 4 4+ + X - ⇌沫3的NiS4 X 3+，通过停流分光光度法（25℃），得到前进和后退速率常数X研究- =氯-的ķ ˚F = 9.4米宽-1小号-1， ķ b = 0.097小号-1，和对于X – = NCS –的k f = 45 M –1 s –1， k b = 0.062 s –1。在四面体连接的（和金属-金属键合的）镍中心分配的络合异常慢，并且比[Ni（H 2 O）上的取代慢6 ] 2+。氧化还原反应，例如Mo
• Novel mechanistic aspects of the reduction of iron(III) phenanthroline complexes by aquo iron(II). Temperature dependence of the substituent effect
  作者：R. Schmid、L. Han

  DOI：10.1016/s0020-1693(00)83562-8

  日期：1983.1

  Abstract There is strong evidence that the reduction of Fe(phen) 3+ 3 by Fe 2+ aq occurs via an inner-sphere path mediated by water molecules coordinated at the carbon atom adjacent to the ring nitrogen of the phenanthroline ligands. Water thus acts as a catalyst. The rate constant measured is related to the product Kk 2 of the equilibrium constant of the covalent hydration of Fe(phen) 3+ 3 and the

  摘要强有力的证据表明，Fe 2+ aq还原Fe（phen）3+ 3的途径是通过与邻菲咯啉配体的环氮相邻的碳原子配位的水分子介导的内球路径。因此水起催化剂的作用。测得的速率常数与Fe（phen）3+ 3的共价水合平衡常数与随后形成桥的速率常数乘积Kk 2有关，得到（Fe（phen）3·H 2 O·Fe aq 5+，这两个反应步骤受菲咯啉上取代基的电子效应的反作用影响（对于受体取代基，k和k 2分别增加和减少）。这些涉及的相反作用可以很容易地被调用，以解决非线性哈米特图，并进一步解决实验激活参数的反补偿问题。取代基对平衡前有主要影响，因为净速率会随着受体取代基的增加而增加。提出的反应机理具有以下特征：速率对酸和离子强度及取代基的依赖性，非线性哈米特图，活化参数的模式和抗补偿作用。