Re(6,6'-bis(p-methoxyphenyl)-4,4'-bipyrimidine)(CO)3Cl | 897922-88-2

• 英文名称: Re(6,6'-bis(p-methoxyphenyl)-4,4'-bipyrimidine)(CO)3Cl
• 英文别名: Re(dmpb)(CO)3Cl
• CAS: 897922-88-2
• 化学式: C₂₅H₁₈ClN₄O₅Re
• 分子量: 676.102
• InChiKey: GLWVSKFCVGHCGK-UHFFFAOYSA-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：

  ammonium hexafluorophosphate 、 六氟磷酸银 、 Re(6,6'-bis(p-methoxyphenyl)-4,4'-bipyrimidine)(CO)3Cl 以 水 、 乙腈 为溶剂， 以58%的产率得到Re(6,6'-bis(p-methoxyphenyl)-4,4'-bipyrimidine)(CO)3(MeCN)PF6
  参考文献：
  名称：

  Synthesis and properties of Re(I) tricarbonyl complexes of 6,6′-disubstituted-4,4′-bipyrimidines with high energy excited states suitable for incorporation into polynuclear arrays

  摘要：

  A series of complexes [(N-N)Re(CO)(3)X](n) (N-N = 6,6'-diaryl-4,4-bipyrimidine, axial ligand X = Cl, MeCN, 4-phenyl-pyridine, or t-Bu-pyridine) have been synthesized and characterized. The substituent aryl on the bipyrimidine, as well as the axial ligand X, has important effects on the properties of these complexes. The co-planarity of the 4,4'-bipyrimidine core and its substituents contributes to the extent of pi-electron delocalization and, hence, to the redox and spectroscopic properties of the complexes. The complexes exhibit Re-to-bpm metal-to-ligand charge transfer absorptions in the range of 379-464 nm, which are red-shifted with the increase in the delocalization in the substituted bpm ligand and the increase in the donor character of the axial ligand. The electrochemical data support metal-based oxidations (from +1.07 to +1.40 V) and ligand-based reductions (from -0.62 to -0.75 V) and correlate well with those obtained by UV-Vis spectroscopy. The X-ray crystal structures of two of the complexes have also been investigated. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.09.042
• 作为产物：
  描述：

  6,6'-bis(p-methoxyphenyl)-4,4'-bipyrimidine 、 五羰基氯铼(I) 以 甲苯 为溶剂， 以84%的产率得到Re(6,6'-bis(p-methoxyphenyl)-4,4'-bipyrimidine)(CO)3Cl
  参考文献：
  名称：

  Synthesis and properties of Re(I) tricarbonyl complexes of 6,6′-disubstituted-4,4′-bipyrimidines with high energy excited states suitable for incorporation into polynuclear arrays

  摘要：

  A series of complexes [(N-N)Re(CO)(3)X](n) (N-N = 6,6'-diaryl-4,4-bipyrimidine, axial ligand X = Cl, MeCN, 4-phenyl-pyridine, or t-Bu-pyridine) have been synthesized and characterized. The substituent aryl on the bipyrimidine, as well as the axial ligand X, has important effects on the properties of these complexes. The co-planarity of the 4,4'-bipyrimidine core and its substituents contributes to the extent of pi-electron delocalization and, hence, to the redox and spectroscopic properties of the complexes. The complexes exhibit Re-to-bpm metal-to-ligand charge transfer absorptions in the range of 379-464 nm, which are red-shifted with the increase in the delocalization in the substituted bpm ligand and the increase in the donor character of the axial ligand. The electrochemical data support metal-based oxidations (from +1.07 to +1.40 V) and ligand-based reductions (from -0.62 to -0.75 V) and correlate well with those obtained by UV-Vis spectroscopy. The X-ray crystal structures of two of the complexes have also been investigated. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.09.042