fac-[Re(4,4'-dimethoxy-2,2'-bipyridine)(CO)3(P(OEt)3)](PF6) | 1012318-08-9

• 英文名称: fac-[Re(4,4'-dimethoxy-2,2'-bipyridine)(CO)3(P(OEt)3)](PF6)
• CAS: 1012318-08-9
• 化学式: C₂₁H₂₇N₂O₈PRe*F₆P
• 分子量: 797.599
• InChiKey: CXUCTYXKAIIMGS-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

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 fac-[Re(4,4'-dimethoxy-2,2'-bipyridine)(CO)3(P(OEt)3)](CF3SO3) 以 甲醇 为溶剂， 生成 fac-[Re(4,4'-dimethoxy-2,2'-bipyridine)(CO)3(P(OEt)3)](PF6)
  参考文献：
  名称：

  Development of an Efficient Photocatalytic System for CO₂ Reduction Using Rhenium(I) Complexes Based on Mechanistic Studies

  摘要：

  The reaction mechanism of photocatalytic CO2 reduction using rhenium(l) complexes has been investigated by means of a detailed comparison of the photocatalyses of three rhenium(l) complexes, fac[Re(bpy)(CO)(3)L] (L = SCN- (1-NCS), Cl- (1-CI), and CN- (1-CN)). The corresponding one-electron-reduced species (OER) of the complexes play two important roles in the reaction: (a) capturing CO2 after loss of the monodentate ligand (L) and (b) donation of the second electron to CO2 by another OER without loss of L. In the case of 1-NICS, the corresponding OER has both of the capabilities in the photocatalytic reaction, resulting in more efficient CO formation (with a quantum yield of 0.30) than that of 1-CI (quantum yield of 0.16), for which OER species have too short a lifetime to accumulate during the photocatalytic reaction. On the other hand, 1-CN showed no photocatalytic ability, because the corresponding OER species does not dissociate the CN- ligand. Based on this mechanistic information, the most efficient photocatalytic system was successfully developed using a mixed system with fac-[Re(bpy)(CO)(3)(CH3CN)](+) and fac-[Re4,4'-(MeO)(2)bpy}(CO)(3){P(OEt)(3)}](+), for which the optimized quantum yield for CO formation was 0.59.

  DOI：

  10.1021/ja077752e