[Re(CO)3F(2,2'-azobispyridine)] | 777063-61-3

• 英文名称: [Re(CO)3F(2,2'-azobispyridine)]
• 英文别名: (2,2'-azobispyridine)Re(CO)3(F)
• CAS: 777063-61-3
• 化学式: C₁₃H₈FN₄O₃Re
• 分子量: 473.437
• InChiKey: NMTREWBEJPLRRJ-ACQMDWLESA-M

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：

  [Re(CO)3F(2,2'-azobispyridine)] 以 二氯甲烷 为溶剂， 生成 (2,2'-azobispyridine)Re(CO)3(1-)
  参考文献：
  名称：

  A complete series of tricarbonylhalidorhenium(I) complexes (abpy)Re(CO)3(Hal), Hal=F, Cl, Br, I; abpy=2,2′-azobispyridine: Structures, spectroelectrochemistry and EPR of reduced forms

  摘要：

  For the first time a complete set of tricarbonylhalidorhenium(I) complexes (Hal = F, Cl, Br, I) has been studied in a systematical fashion by example of (abpy)Re(CO)(3)(Hal), abpy = 2,2'-azobispyridine. Crystal structures of chloride, bromide and iodide analogues are now available, showing increasing planarization of the abpy ligand in that order. Cyclic voltammetry, EPR, IR and UV/Vis spectroelectrochemistry of the reduced forms [(abpy)Re(CO)(3)(Hal)](.-) illustrate that the four halide complexes differ only partially in their properties. The strongest deviations are observed for [(abpy)Re(CO)(3)F](.-) which is distinguished by the widest electrochemical potential range but most pronounced chemical lability. In the EPR spectrum the fluoride exhibits the highest isotropic g value (2.0085) and the lowest rhenium coupling constant, which is of the same magnitude (2 mT) as the detectable F-19 hyperfine splitting. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.06.047
• 作为产物：
  描述：

  (E)-二(吡啶-2-基)二氮烯 、 铼五羰基碘化物 、 silver fluoride 以 甲苯 为溶剂， 以75%的产率得到[Re(CO)3F(2,2'-azobispyridine)]
  参考文献：
  名称：

  A complete series of tricarbonylhalidorhenium(I) complexes (abpy)Re(CO)3(Hal), Hal=F, Cl, Br, I; abpy=2,2′-azobispyridine: Structures, spectroelectrochemistry and EPR of reduced forms

  摘要：

  For the first time a complete set of tricarbonylhalidorhenium(I) complexes (Hal = F, Cl, Br, I) has been studied in a systematical fashion by example of (abpy)Re(CO)(3)(Hal), abpy = 2,2'-azobispyridine. Crystal structures of chloride, bromide and iodide analogues are now available, showing increasing planarization of the abpy ligand in that order. Cyclic voltammetry, EPR, IR and UV/Vis spectroelectrochemistry of the reduced forms [(abpy)Re(CO)(3)(Hal)](.-) illustrate that the four halide complexes differ only partially in their properties. The strongest deviations are observed for [(abpy)Re(CO)(3)F](.-) which is distinguished by the widest electrochemical potential range but most pronounced chemical lability. In the EPR spectrum the fluoride exhibits the highest isotropic g value (2.0085) and the lowest rhenium coupling constant, which is of the same magnitude (2 mT) as the detectable F-19 hyperfine splitting. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.06.047

文献信息

• Structure, electrochemistry, spectroscopy, and magnetic resonance, including high-field EPR, of {(μ-abpy)[Re(CO)3X]2}o/•−, where abpy=2,2′-azobispyridine and X=F, Cl, Br, I
  作者：Stéphanie Frantz、Monika Sieger、Ingo Hartenbach、Falk Lissner、Thomas Schleid、Jan Fiedler、Carole Duboc、Wolfgang Kaim

  DOI：10.1016/j.jorganchem.2008.09.034

  日期：2009.4

  isostructural to the form found for anti-(μ-abpy)[Re(CO)3Br]2}. Syntheses of (μ-abpy)[Re(CO)3Cl]2} at high or low temperatures yielded different compositions, the high temperature procedure led to partial formation of syn/anti mixtures and one-electron reduced species. The same was observed to a greater extent in the preparation of labile syn/anti-(μ-abpy)[Re(CO)3F]2}o/•−. The identity of isolated species

  尝试制备和研究标题配合物，得到了具有结构特征的中性化合物抗-（μ-abpy）[Re（CO）3 X] 2 }，X = Br（I 4 1 / a），I（C 2 / c）和两种抗-（μ-abpy）[Re（CO）3 Cl] 2 }的结晶形式。这些形式中的一种（P 2 1 / c）之前已有报道，另一种（I 4 1 / a）通过在Zn存在下结晶获得，与抗-（μ-abpy）形式相同。 [Re（CO）3Br] 2 }。（μ-abpy）[Re（CO）3 Cl] 2 }在高温或低温下的合成产生不同的组成，高温程序导致部分合成顺/反混合物和单电子还原物种。在不稳定的syn / anti -（μ-abpy）[Re（CO）3 F] 2 } o /•-的制备中也观察到了同样的情况。使用1调查了分离物种的身份H NMR光谱，变频EPR光谱，循环伏安法，UV / Vis和IR光谱电化学。讨论了卤化物变化对结构，还原电位，异构现象和电子态的影响。