(3,5-di-tert-butylphenyl zinc porphyrin)-(ferrocene) | 868654-34-6

• 英文名称: (3,5-di-tert-butylphenyl zinc porphyrin)-(ferrocene)
• 英文别名: BPZnP-Fc
• CAS: 868654-34-6
• 化学式: C₇₂H₈₀FeN₄Zn
• 分子量: 1122.69
• InChiKey: JLZKXZNDNHIFQT-VNPGQCQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  (3,5-di-tert-butylphenylporphyrin)-(ferrocene) 、 zinc(II) acetate dihydrate 以 甲醇 、 氯仿 为溶剂， 以56%的产率得到(3,5-di-tert-butylphenyl zinc porphyrin)-(ferrocene)
  参考文献：
  名称：

  Ultrafast Photoinduced Electron Transfer in Directly Linked Porphyrin−Ferrocene Dyads

  摘要：

  The ultrafast electron transfer occurring upon Soret excitation of three new porphyrin-ferrocene (XP-Fc) dyads has been studied by femtosecond up-conversion and pump-probe techniques. In the XP-Fc dyads (XP-Fcs) designed in this study, the ferrocene moiety is covalently bonded to the meso positions of 3,5-di-tert-butylphenyl zinc porphyrin (BPZnP-Fc), pentafluorophenyl zinc porphyrin (FPZnP-Fc), and 3,5-di-tert-butylphenyl free-base porphyrin (BPH2P-Fc). Charge separation and recombination in the XP-Fcs were confirmed by transient absorption spectra, and the lifetimes of the charge-separated states were estimated from the decay rate of the porphyrin radical anion band to be approximately 20 ps. The charge-separation rates of the XP-Fcs were found to be > 10(13) s(-1) from the S-2 state and 6.3 x 10(12) s(-1) from the S-1 state. Charge separation from the S-2 state was particularly efficient for BPZnP-Fc, whereas the main reaction pathway was from the S-1 state for BPH2P-Fc. Charge separation from the S-2 and S-1 states occurred at virtually the same rate in benzene and tetrahydrofuran and was much faster than their solvation times. Analysis of these results using semiquantum Marcus theory indicates that the magnitude of the electronic-tunneling matrix element is rather large and far outside the range of nonadiabatic approximation. The pump-probe data show the presence of vibrational coherence during the reactions, suggesting that wavepacket dynamics on the adiabatic potential energy surface might regulate the ultrafast reactions.

  DOI：

  10.1021/jp071546b