cis-octaethylchlorin zinc(II) | 54676-29-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: cis-octaethylchlorin zinc(II)
• 英文别名: zinc(II) octaethylchlorin；Zn(II) octaethylchlorin
• CAS: 54676-29-8；28375-45-3；108101-95-7
• 化学式: C₃₆H₄₆N₄Zn
• 分子量: 600.178
• InChiKey: RSYYBXQIKRAFIL-XTPDIVBZSA-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：

  cis-octaethylchlorin zinc(II) 以 四氢呋喃 为溶剂， 生成 zinc-2,3-dihydro-2,3,7,8,12,13,17,18-octaethylporphyrin radical anion
  参考文献：
  名称：

  Resonance Raman Spectroscopic Characterization of the π-Anion and π-Cation Radicals of Zinc(II) Octaethylchlorin

  摘要：

  Cyclic voltammetry (CV), UV-vis spectroscopy, and resonance Raman (RR) spectroscopy are utilized to characterize the pi-anion and pi-cation radicals of ZnOEC (OEC octaethylchlorin). Features in the RR spectra are assigned with the aid of data from the meso-d(4) isotopomer of ZnOEC and ZnEtI (EtI = etiochlorin I). The vibrational frequency shift patterns of the radicals ate consistent with expected bonding changes on placing an electron in the LUMO or a hole in the HOMO. The frontier orbitals are similar in ZnOEC and ZnOEP (OEP octaethylporphyrin), but the anion spectra differ because of the consequences of the Jahn-Teller effect in ZnOEP-. The cation and anion vibrational shifts do not add to give the shifts previously reported for the triplet state, indicating additional distortion upon triplet excitation.

  DOI：

  10.1021/jp971351b
• 作为产物：
  描述：

  zinc(II) octaethylchlorin radical cation 以 二氯甲烷 为溶剂， 生成 cis-octaethylchlorin zinc(II)
  参考文献：
  名称：

  Resonance Raman Spectroscopic Characterization of the π-Anion and π-Cation Radicals of Zinc(II) Octaethylchlorin

  摘要：

  Cyclic voltammetry (CV), UV-vis spectroscopy, and resonance Raman (RR) spectroscopy are utilized to characterize the pi-anion and pi-cation radicals of ZnOEC (OEC octaethylchlorin). Features in the RR spectra are assigned with the aid of data from the meso-d(4) isotopomer of ZnOEC and ZnEtI (EtI = etiochlorin I). The vibrational frequency shift patterns of the radicals ate consistent with expected bonding changes on placing an electron in the LUMO or a hole in the HOMO. The frontier orbitals are similar in ZnOEC and ZnOEP (OEP octaethylporphyrin), but the anion spectra differ because of the consequences of the Jahn-Teller effect in ZnOEP-. The cation and anion vibrational shifts do not add to give the shifts previously reported for the triplet state, indicating additional distortion upon triplet excitation.

  DOI：

  10.1021/jp971351b