vanadyl 5,10,15,20-tetramesitylporphyrin | 223582-66-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: vanadyl 5,10,15,20-tetramesitylporphyrin
• CAS: 223582-66-9
• 化学式: C₅₆H₅₂N₄OV
• 分子量: 847.997
• InChiKey: JWOSDQMLKCDJNX-WSJWEZPUSA-N

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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  vanadyl 5,10,15,20-tetramesitylporphyrin 在 phenoxathiinylium hexachloroantimonate 作用下， 以 二氯甲烷 为溶剂， 生成 vanadyl 5,10,15,20-tetramesitylporphyrin(+.)
  参考文献：
  名称：

  Insensitivity of Vanadyl−Oxygen Bond Strengths to Radical Type (²A_1u vs ²A_2u) in Vanadyl Porphyrin Cation Radicals

  摘要：

  Resonance Raman (RR) spectra are reported for vanadyl octaethylporphyrin, OV(OEP), tetramesityltetramethylporphyrin, OV(TMTMP), and tetramesitylporphyrin, OV(TMP), and their corresponding pi-cation radicals obtained by chemical and electrochemical oxidation. The behavior of the nu(2) RR porphyrin "marker band", which moves to higher frequency upon oxidation of the OV(OEP) and OV(TMTMP) and to lower frequency for OV(TMP), shows that the resultant cation radicals have predominantly (2)A(1u) and (2)A(2u) ground states, respectively. In contrast to earlier work (Macor, K. A.; Czernuszewicz, R. S.; Spiro, T. G. Inorg. Chem. 1990, 29, 1996), it is demonstrated here that the shift of the nu(V=O) is insensitive to radical type, behavior which is in agreement with similar studies of the ferryl analogues (Czarnecki, K.; et al. J. Am. Chem. Soc. 1996, 116, 2929 and 4680). It is suggested that the observed downshifts of the nu(V=O) previously reported for RR spectra of vanadyl porphyrin pi-cation radicals, relative to their neutral parents, are most reasonably ascribed to trans oxo ligand coordination (most probably a water molecule) during low-temperature electrochemical oxidation of the neutral species.

  DOI：

  10.1021/ic981369g
• 作为产物：
  描述：

  bis(acetylacetonate)oxovanadium 、 5,10,15,20-tetramesitylporphyrin 以 further solvent(s) 为溶剂， 生成 vanadyl 5,10,15,20-tetramesitylporphyrin
  参考文献：
  名称：

  Insensitivity of Vanadyl−Oxygen Bond Strengths to Radical Type (²A_1u vs ²A_2u) in Vanadyl Porphyrin Cation Radicals

  摘要：

  Resonance Raman (RR) spectra are reported for vanadyl octaethylporphyrin, OV(OEP), tetramesityltetramethylporphyrin, OV(TMTMP), and tetramesitylporphyrin, OV(TMP), and their corresponding pi-cation radicals obtained by chemical and electrochemical oxidation. The behavior of the nu(2) RR porphyrin "marker band", which moves to higher frequency upon oxidation of the OV(OEP) and OV(TMTMP) and to lower frequency for OV(TMP), shows that the resultant cation radicals have predominantly (2)A(1u) and (2)A(2u) ground states, respectively. In contrast to earlier work (Macor, K. A.; Czernuszewicz, R. S.; Spiro, T. G. Inorg. Chem. 1990, 29, 1996), it is demonstrated here that the shift of the nu(V=O) is insensitive to radical type, behavior which is in agreement with similar studies of the ferryl analogues (Czarnecki, K.; et al. J. Am. Chem. Soc. 1996, 116, 2929 and 4680). It is suggested that the observed downshifts of the nu(V=O) previously reported for RR spectra of vanadyl porphyrin pi-cation radicals, relative to their neutral parents, are most reasonably ascribed to trans oxo ligand coordination (most probably a water molecule) during low-temperature electrochemical oxidation of the neutral species.

  DOI：

  10.1021/ic981369g