| 1581275-97-9

• CAS: 1581275-97-9
• 化学式: C₂₁H₃₅N₂O₂PRe
• 分子量: 564.702
• InChiKey: GHMNWKGFKWPAGG-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  (PNN)ReBr(CO)₂ 在 silver trifluoromethanesulfonate 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  Synthesis, Dynamics, and DFT Studies of Rhenium Dicarbonyl PNN Pincer Complexes in Three Different Oxidation States

  摘要：

  The synthesis and characterization of Re-I and Re-II dicarbonyl halides 1 and 2 and the Re-III dicarbonyl dihalide 3 supported by a PNN pincer ligand are described. Complex 1 (1a, X = Br; 1b, X = Cl) was synthesized by refluxing the PNN ligand with Re(CO)(5)X (X = Br, Cl) in toluene. One-electron oxidation of 1 by [(4-BrC6H4)(3)N][SbCl6] gave 2, which when oxidized by PhIO afforded 3. X-ray and IR analysis of 1-3 revealed a systematic increase of Re-C( O) and decrease of C O bond lengths and increase in the corresponding C O stretching frequency. All of these results are consistent with weakening in the Re-C( O) bond from 1 to 3 upon increasing the oxidation state from +1 in 1 to +3 in 3, with 2 being in between. The heptacoordinate complex 3 exhibited temperature-dependent fluxional behavior, caused by the pseudorotation of the rhenium center. This phenomenon was observed by NMR and supported computationally by density functional theory (DFT) calculations.

  DOI：

  10.1021/om500007m