| 1026768-44-4

• CAS: 1026768-44-4
• 化学式: BF₄*C₁₉H₂₇FeN₂
• 分子量: 426.088
• InChiKey: BUINUAQLGINSPO-UHFFFAOYSA-N

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：

  在 sodium hexamethyldisilazane 作用下， 以 氘代苯 为溶剂， 生成 Fe(C₅H₄)2(NCH₂CH(CH₃)2)2C
  参考文献：
  名称：

  二氨基卡宾[3]二茂铁及其过渡金属配合物。

  摘要：

  DOI：

  10.1002/anie.200704978

文献信息

• Redox-Active N-Heterocyclic Carbenes: Design, Synthesis, and Evaluation of Their Electronic Properties
  作者：Evelyn L. Rosen、C. Daniel Varnado、Andrew G. Tennyson、Dimitri M. Khramov、Justin W. Kamplain、Daphne H. Sung、Philip T. Cresswell、Vincent M. Lynch、Christopher W. Bielawski

  DOI：10.1021/om900698x

  日期：2009.12.14

  To investigate effects of redox-active functional groups on the coordination chemistry and electronic properties of N-heterocyclic carbenes (NHCs), we prepared a series of complexes comprising 1,3-diferrocenylimidazolylidene and -benzimidazolylidene (1 and 2, respectively), 1-ferrocenyl-3-methyl- and 1, 3-diphenyl-5-ferrocenylbenzimidazolylidene (3 and 4, respectively), N,N'-diisobutyldiaminocarbene[3]ferrocenophane (FcDAC), and 1,3-dimesitylnaphthoquinoimidazolylidene (NqMes) ligands and coordinated [Ir(COD)Cl] (COD = 1,5-cyclooctadiene), [Ir-(CO)(2)Cl], and [M(CO)(5)] (M = Cr, Mo, W) units. The coordination chemistry of the aforementioned NHCs was investigated by X-ray crystallography, and their electronic properties were studied by NMR and IR spectroscopy, as well as electrochemistry. No significant variation in nu(CO) was observed among metal carbonyl complexes supported by 2-4 and FcDAC, indicating that the number (one vs two) or redox-active groups, the location (N atom vs backbone) of the redox-active group, and carbene ring identities (strained six-membered, nonaromatic vs five-membered, heteroaromatic) did not have a significant effect on ligand electron-donating ability. Because the shifts in nu(CO) upon oxidation of 1-3 and FcDAC were similar in magnitude but opposite in sign to NqMes, we conclude that the enhancement or attenuation of ligand donating is primarily Coulombic in origin (i.e., due to the molecule acquiring a positive or negative charge).