[Fe(tmeda)Cl₂]₂ | 112440-08-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [Fe(tmeda)Cl₂]₂
• 英文别名: {Fe(TMEDA)Cl₂}₂；[(N,N,N'N'tetramethyl-1,2-diamine)iron(II)dichloride]；(N,N,N',N'-tetramethylethane-1,2-diamine)FeCl2；[(tmeda)FeCl2]
• CAS: 112440-08-1
• 化学式: C₆H₁₆Cl₂FeN₂
• 分子量: 242.959
• InChiKey: GVESYNSVVDXXEI-UHFFFAOYSA-L

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：

  [Fe(tmeda)Cl₂]₂ 、 7-iPr·HI 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 [Fe(7-iPr)₂Cl₂]
  参考文献：
  名称：

  Reactivity of (NHC)₂FeX₂ Complexes toward Arylborane Lewis Acids and Arylboronates

  摘要：

  (NHC)(2)FeCl2 complexes undergo methoxide transfer in preference to aryl transfer from [(Aryl)B(OR)(3)](-), while addition of ArylBY(2) (Y = Cl, OR) to (NHC)Fe-methoxide compounds leads only to formation of (NHC)BY(2)Aryl. The addition of PhBCl2 to (NHC)(2)FeX2 compounds is introduced as a method for probing NHC dissociation from iron. Two expanded ring NHCs also undergo dissociation from iron in the respective (NHC)(2)FeCl2 complexes.

  DOI：

  10.1021/om401105k
• 作为产物：
  描述：

  iron(II) chloride*1.5THF 、 [FeClCp*(TMEDA)] 以 乙醚 为溶剂， 生成 bis(pentamethylcyclopentadienyl)iron(II) 、 [Fe(tmeda)Cl₂]₂
  参考文献：
  名称：

  Jonas, Klaus; Klusmann, Peter; Goddard, Richard, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1995, vol. 50, # 3, p. 394 - 404

  摘要：

  DOI：

文献信息

• Redox Processes Involved in the Synthesis and Reactivity of Oxazolinylthiophenolato Complexes of Iron(II)/(III)
  作者：Rúbia C. R. Bottini、Rogério A. Gariani、César de O. Cavalcanti、Franciele de Oliveira、Nevilde de L. G. da Rocha、Davi Back、Ernesto S. Lang、Peter B. Hitchcock、David J. Evans、Giovana G. Nunes、Fábio Simonelli、Eduardo L. de Sá、Jaísa F. Soares

  DOI：10.1002/ejic.201000065

  日期：2010.6

  afforded mononuclear [Fe(ox-phS) 2 ] (A) and binuclear [(Fe III (ox-phS)} 2 (μ-S) 2 ] (B). In B, iron(III) and S 2- resulted from an unexpected redox reaction involving elemental sulfur and the iron(II) starting material. Complexes A and B co-crystallise reproducibly in a 2:1 proportion. An attempt to prepare (oxazolinylthiophenolato)-iron(III) from Li(ox-phS) and anhydrous FeCl 3 in the presence of N

  所有配合物的表征包括穆斯堡尔光谱和单晶 X 射线衍射分析。A 的量子力学 (TDDFT) 计算以及使用 A 和 C 进行的循环伏安法实验有助于区分基于配体和金属的电子跃迁和氧化还原过程。结果增加了对具有软 S 供体配体的早期过渡金属的丰富氧化还原化学的了解，可能对催化和生化转化产生影响。
• Albores, Pablo; Carrella, Luca M.; Clegg, William, Angewandte Chemie - International Edition, 2009, vol. 48, p. 3317 - 3321
  作者：Albores, Pablo、Carrella, Luca M.、Clegg, William、Garcia-Alvarez, Pablo、Kennedy, Alan R.、et al.

  DOI：——

  日期：——
• Three- and Four-Coordinate Homoleptic Iron(I)–NHC Complexes: Synthesis and Characterization
  作者：Zhenwu Ouyang、Yinshan Meng、Jun Cheng、Jie Xiao、Song Gao、Liang Deng

  DOI：10.1021/acs.organomet.6b00047

  日期：2016.5.23

  The use of the monodentate N-heterocyclic carbene (NHC) 1,3,4,5-tetramethylimidazol-2-ylidene (IMe2Me2) and its N,N-diethyl and N,N-diisopropyl analogues IEt2Me2 and IPr2Me2 enabled the preparation of the four-coordinate homoleptic iron(I)-NHC complexes [(NHC)(4)Fe][BPh4] (NHC = IMe2Me2, 1; IEt2Me2, 2; IPr2Me2, 3) and the first three-coordinate homoleptic iron(I)-NHC complex, [(IPr2Me2)(3)Fe][BPh4] (5). X-ray crystallographic studies revealed the tetrahedral coordination geometries of the cations in 1 and 2, the square-planar geometry in 3, and the trigonal-planar geometry in 5. Fe-57 Mossbauer spectroscopy and magnetic susceptibility measurements suggested that 1, 2, and 5 are high-spin (S = 3/2) iron(I) species and that 3 is a low-spin (S = 1/2) complex. H-1 NMR and UV-vis-NIR spectroscopies revealed the existence of tetrahedral square-planar isomerization (for 2 and 3) and NHC dissociation (for 3) in solutions of 2 and 3.