Fc-gem-diethynylethene | 1359972-46-5

• 英文名称: Fc-gem-diethynylethene
• CAS: 1359972-46-5
• 化学式: C₁₈H₁₆Fe
• 分子量: 288.172
• InChiKey: JAIUIITZZFTOML-UHFFFAOYSA-N

反应信息

• 作为反应物：
  描述：

  正丁基锂 、 Fc-gem-diethynylethene 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 Fc-gem-diethynylethene-Li
  参考文献：
  名称：

  New Fe(III)(cyclam) Complexes Bearing Axially Bound geminal-Diethynylethenes

  摘要：

  Reported herein are the preparation and characterization of trans-[Fe(cyclam)(X-gem-DEE)(2)]OTf (where cyclam = 1,4,8,11-tetraazacyclotetradecane, gem-DEE = sigma-geminal-diethynylethene, and OTf = trifluoromethanesulfonate) compounds 2a, 2h, and 2c (X = -Ph (2a), -Si(i)Pr3 (2b), and -Fc (2c)), which are the first examples of redox-active 3d metal complexes containing gem-DEE ligands. These compounds were prepared from the reaction between cis/trans-[Fe(cyclam)(OTf)(2)]OTf (1) and X-gem-DEE-Li. Compounds 2a-2c were characterized by spectroscopic/voltammetric techniques. The trans-orientation of the gem-DEE ligands was established from the single-crystal X-ray diffraction study of 2a. Furthermore, the electronic structures of the model compounds 2a'(+) and 2b'(+) were analyzed with density-functional-theory calculations, which revealed significant d pi(Fe)-pi(gem-DEE) interactions.

  DOI：

  10.1021/om400683d

文献信息

• Diruthenium(III,III) Bis(alkynyl) Compounds with Donor/Acceptor-Substituted <i>geminal</i>-Diethynylethene Ligands
  作者：William P. Forrest、Zhi Cao、Kerry M. Hassell、Boone M. Prentice、Phillip E. Fanwick、Tong Ren

  DOI：10.1021/ic202720c

  日期：2012.3.5

  Reported in this contribution are the preparation and characterization of a series of Ru2(DMBA)4 (DMBA = N,N′-dimethylbenzamidinate) bis(alkynyl) compounds, trans-Ru2(DMBA)4(X-gem-DEE)2 [gem-DEE = σ-geminal-diethynylethene; X = H (1), SiiPr3 (2), Fc (3); 4-C6H4NO2 (4), and 4-C6H4NMe2 (5)]. Compounds 1–5 were characterized by spectroscopic and voltammetric techniques as well as the single-crystal X-ray

  该贡献报告了一系列Ru 2（DMBA）4（DMBA = N，N'-二甲基苯甲酰胺）双（炔基）化合物，反-Ru 2（DMBA）4（X- gem -DEE）的制备和表征。2 [宝石-DEE =σ-偕-diethynylethene; X = H（1），Si i Pr 3（2），Fc（3）; 4-C 6 H 4 NO 2（4）和4-C 6 H 4NMe 2（5）]。化合物1 - 5通过光谱和伏安法技术以及的单晶X射线衍射研究进行表征2和3。化合物2和3的单晶结构数据以及光谱/伏安数据均表明gem -DEE配体在影响Ru 2（DMBA）4核的分子和电子结构方面类似于简单的乙炔化物。此外，密度泛函理论计算表明，在芳基供体取代的宝石中， π的离域更广泛-DEEs和空穴传递机构将可能支配在茹电荷离域2 -宝石基于-DEE-导线。