fac-[Re(2,2'-bipyridine)(CO)3(THF)][PF6] | 93757-36-9

• 英文名称: fac-[Re(2,2'-bipyridine)(CO)3(THF)][PF6]
• 英文别名: fac-[Re(2,2'-bipyridine)(CO)₃(THF)][PF₆]
• CAS: 93757-36-9
• 化学式: C₁₇H₁₆N₂O₄Re*F₆P
• 分子量: 643.496
• InChiKey: KYZBRMKPTDCHFG-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

• 作为反应物：
  描述：

  9-(4-pyridylmethylene)fluorene 、 fac-[Re(2,2'-bipyridine)(CO)3(THF)][PF6] 以 四氢呋喃 为溶剂， 反应 16.0h， 以86%的产率得到fac-4-((9H-fluoren-9-ylidene)methyl)pyridine-2,2'-bipyridine-tricarbonyl-rhenium(I) hexafluorophosphate
  参考文献：
  名称：

  Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an Electrochemical, Spectroscopic, and Computational Investigation

  摘要：

  The synthesis and characterization of a novel family of positively charged fac-[Re(bpy)(CO)(3)(L)]PF6 (bpy = 2,2'-bipyridine) complexes are reported, where L is a pyridine functionalized in para or meta position with a fulvene moiety, namely, 4-fluoren-9-ylidenemethyl-pyridine (pFpy) and 3-fluoren-9-ylidenemethyl-pyridine (mFpy). The complexes were prepared in high yield (86%) by direct addition at room temperature of the corresponding pyridine to the tetrahydrofuran (THF) adduct fac-[Re(bpy)(CO)(3)(THF)][PF6] precursor. Both ligand and complex structures were fully characterized by a variety of techniques including X-ray crystallography. The complexes did not exhibit the expected triplet mixed metal ligand-to-ligand charge transfer (MLLCT) emission, because of its deactivation by the non-emissive triplet excited state of fulvene. The absorption profile shows that the MLLCT is overshadowed by the fulvene centered pi-pi* transition of higher molar absorptivity as shown by time dependent density functional theory (TD-DFT) calculations. The position of the fulvene on the pyridyl ring has a large effect on this transition, the para position displaying a much higher absorption coefficient (21.3 x 10(3) M-1 cm(-1)) at lower energy (364 nm) than the meta position (331 nm, 16.0 x 10(3) M-1 cm(-1))

  DOI：

  10.1021/ic301559s
• 作为产物：
  描述：

  六氟磷酸银 、 fac-(2,2'-bipyridine)bromotricarbonylrhenium(I) 以 四氢呋喃 为溶剂， 以97%的产率得到fac-[Re(2,2'-bipyridine)(CO)3(THF)][PF6]
  参考文献：
  名称：

  Casey, Charles P.; O'Connor, Joseph M., Organometallics, 1985, vol. 4, # 2, p. 384 - 388

  摘要：

  DOI：

文献信息

• CASEY, CH. P.;OCONNOR, J. M., ORGANOMETALLICS, 1985, 4, N 2, 384-388
  作者：CASEY, CH. P.、OCONNOR, J. M.

  DOI：——

  日期：——