zinc(II) tetrakis(N-ethanol-4-pyridinium)porphyrin | 749886-45-1

• 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: zinc(II) tetrakis(N-ethanol-4-pyridinium)porphyrin
• 英文别名: Zn-meso-tetra(4-N-hydroxyethyl)pyridylporphyrin；Zn(II)T(N-EtOH-4-Py)(4+)；ZnT4OEPyP；ZnTOEPyP4；ZINC;2-[4-[10,15,20-tris[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]porphyrin-24-id-5-ylidene]pyridin-1-yl]ethanol
• CAS: 749886-45-1
• 化学式: C₄₈H₄₄N₈O₄Zn
• 分子量: 862.319
• InChiKey: YFRSAPXJHHYVMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  61
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  zinc 5,10,15,20-tetrakis(4-sulfonatophenyl)porphyrin(4-) 、 zinc(II) tetrakis(N-ethanol-4-pyridinium)porphyrin 以 水 为溶剂， 反应 48.5h， 生成 zinc(II) tetrakis(N-ethanol-4-pyridinium)porphyrin - zinc(II) tetrakis(4-silfonatophenyl)porphyrin
  参考文献：
  名称：

  Donor−Acceptor Biomorphs from the Ionic Self-Assembly of Porphyrins

  摘要：

  Microscale four-leaf clover-shaped structures are formed by self-assembly of anionic and cationic porphyrins. Depending on the metal complexed in the porphyrin macrocycle (Zn or Sn), the porphyrin cores are either electron donors or electron acceptors. All four combinations of these two metals in cationic tetra(N-ethanol-4-pyridinium)porphyrin and anionic tetra(sulfonatophenyl)porphyrin result in related cloverlike structures with similar crystalline packing indicated by X-ray diffraction patterns. The clover morphology transforms as the ionic strength and temperature of the self-assembly reaction are increased, but the structures maintain 4-fold symmetry. The ability to alter the electronic and photophysical properties of these solids (e.g., by altering the metals in the porphyrins) and to vary cooperative interactions between the porphyrin subunits raises the possibility of producing binary solids with tunable functionality. For example, we show that the clovers derived from anionic Zn porphyrins (electron donors) and cationic Sn porphyrins (electron acceptors) are photoconductors, but when the metals are reversed in the two porphyrins, the resulting clovers are insulators.

  DOI：

  10.1021/ja102194x
• 作为产物：
  描述：

  meso-tetrakis(4N-(2-hydroxyethyl)pyridyl)porphyrin 在 zinc diacetate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 zinc(II) tetrakis(N-ethanol-4-pyridinium)porphyrin
  参考文献：
  名称：

  Donor−Acceptor Biomorphs from the Ionic Self-Assembly of Porphyrins

  摘要：

  Microscale four-leaf clover-shaped structures are formed by self-assembly of anionic and cationic porphyrins. Depending on the metal complexed in the porphyrin macrocycle (Zn or Sn), the porphyrin cores are either electron donors or electron acceptors. All four combinations of these two metals in cationic tetra(N-ethanol-4-pyridinium)porphyrin and anionic tetra(sulfonatophenyl)porphyrin result in related cloverlike structures with similar crystalline packing indicated by X-ray diffraction patterns. The clover morphology transforms as the ionic strength and temperature of the self-assembly reaction are increased, but the structures maintain 4-fold symmetry. The ability to alter the electronic and photophysical properties of these solids (e.g., by altering the metals in the porphyrins) and to vary cooperative interactions between the porphyrin subunits raises the possibility of producing binary solids with tunable functionality. For example, we show that the clovers derived from anionic Zn porphyrins (electron donors) and cationic Sn porphyrins (electron acceptors) are photoconductors, but when the metals are reversed in the two porphyrins, the resulting clovers are insulators.

  DOI：

  10.1021/ja102194x

文献信息

• US8389715
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  公开号：——

  公开（公告）日：——