fac-[Re(CO)3(2,2'-bipyridine)(Zn-5-(4'-pyridyl)-10,15,20-tris(3',5'-di-tert-butylphenyl)porphyrin)](CF3SO3) | 1426339-44-7

• 英文名称: fac-[Re(CO)3(2,2'-bipyridine)(Zn-5-(4'-pyridyl)-10,15,20-tris(3',5'-di-tert-butylphenyl)porphyrin)](CF3SO3)
• 英文别名: fac-[Re(CO)₃(2,2'-bipyridine)(Zn-5-(4'-pyridyl)-10,15,20-tris(3',5'-di-tert-butylphenyl)porphyrin)](CF₃SO₃)
• CAS: 1426339-44-7
• 化学式: CF₃O₃S*C₈₀H₈₃N₇O₃ReZn
• 分子量: 1591.25
• InChiKey: CNMDPBDDRYPXNW-GYZXIZKVSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  fac-[Re(CO)₃(2,2'-bipyridine)(5-(4'-pyridyl)-10,15,20-tris(3',5'-di-tert-butylphenyl)porphyrin)](CF₃SO₃) 、 zinc(II) acetate dihydrate 以 甲醇 、 氯仿 为溶剂， 以87%的产率得到fac-[Re(CO)3(2,2'-bipyridine)(Zn-5-(4'-pyridyl)-10,15,20-tris(3',5'-di-tert-butylphenyl)porphyrin)](CF3SO3)
  参考文献：
  名称：

  Improving the Efficiency of the Photoinduced Charge-Separation Process in a Rhenium(I)–Zinc Porphyrin Dyad by Simple Chemical Functionalization

  摘要：

  We demonstrate here that, whereas the rhenium(I)-zinc porphyrin dyad fac-[Re(CO)(3)(bpy)(Zn center dot 4'MPyP)] (CF3SO3) [1; 4'MPyP = 5-(4'-pyridyl)-10,15,20-triphenylporphyrin] shows no evidence for photoinduced electron transfer upon excitation in the visible region because the charge-separated state ZnP+-Re- is almost isoenergetic with the singlet excited state of the zinc porphyrin (Delta G = -0.05 eV), the introduction of electron-withdrawing ethyl ester groups on the bpy ligand significantly improves the thermodynamics of the process (Delta G = -0.42 eV). As a consequence, in the new dyad fac-[Re(CO)(3)(4,4'-DEC-bpy)(Zn center dot 4'MPyP)] (CF3SO3) (4; 4,4'-DEC-bpy = 4,4'-diethoxycarbonyl-2,2'-bipyridine), an efficient and ultrafast intramolecular electron-transfer process occurs from the excited zinc porphyrin to the rhenium unit upon excitation with visible light. Conversely, the introduction of electron-donor tert-butyl groups on the meso-phenyl moieties of the zinc porphyrin has a negligible effect on the photophysics of the system. For dyad 4, the time constants for the charge-separation and charge-recombination processes in solvents of different polarity (PrCN, DCM, and toluene) were measured by an ultrafast time-resolved absorption technique (lambda(exc) = 560 nm).

  DOI：

  10.1021/ic302663c