[Zn2(4,6-bis[5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrinyl)]dibenzofuran)] | 259669-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Zn2(4,6-bis[5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrinyl)]dibenzofuran)]
• 英文别名: Zn2(DPD)
• CAS: 259669-11-9
• 化学式: C₇₆H₇₆N₈OZn₂
• 分子量: 1248.27
• InChiKey: MLYZPRSCNNDMPZ-TYRSBUSJSA-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：

  [Zn2(4,6-bis[5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrinyl)]dibenzofuran)] 在 盐酸 作用下， 以 二氯甲烷 为溶剂， 生成 4,6-bis[5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrinyl)]dibenzofuran
  参考文献：
  名称：

  Self-Assembled Molecular Rafts at Liquid|Liquid Interfaces for Four-Electron Oxygen Reduction

  摘要：

  The self-assembly of the oppositely charged water-soluble porphyrins, cobalt tetramethylpyridinium porphyrin (CoTMPyP4+) and cobalt tetrasulphonatophenyl porphyrin (CoTPPS4-), at the interface with an organic solvent to form molecular "rafts", provides an excellent catalyst to perform the interfacial four-electron reduction of oxygen by lipophilic electron donors such as tetrathiafulvalene (TTF). The catalytic activity and selectivity. of the self-assembled catalyst toward the four-electron pathway was found to be as good as that of the Pacman type cofacial cobalt porphyrins. The assembly has been characterized by UV-visible spectroscopy, Surface Second Harmonic Generation, and Scanning Electron Microscopy. Density functional theory calculations confirm the possibility of formation of the catalytic CoTMPyP4+/ CoTPPS4- complex and its capability to bind oxygen.

  DOI：

  10.1021/ja2087322
• 作为产物：
  描述：

  、 4,4'-diethyl-3,3'-dimethyl-5,5'-methanediyl-bis-pyrrole-2-carbaldehyde 在 对甲苯磺酸 、 四氯苯醌 、 zinc(II) acetate dihydrate 作用下， 以 甲醇 、 氯仿 为溶剂， 生成 [Zn2(4,6-bis[5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrinyl)]dibenzofuran)]
  参考文献：
  名称：

  Self-Assembled Molecular Rafts at Liquid|Liquid Interfaces for Four-Electron Oxygen Reduction

  摘要：

  The self-assembly of the oppositely charged water-soluble porphyrins, cobalt tetramethylpyridinium porphyrin (CoTMPyP4+) and cobalt tetrasulphonatophenyl porphyrin (CoTPPS4-), at the interface with an organic solvent to form molecular "rafts", provides an excellent catalyst to perform the interfacial four-electron reduction of oxygen by lipophilic electron donors such as tetrathiafulvalene (TTF). The catalytic activity and selectivity. of the self-assembled catalyst toward the four-electron pathway was found to be as good as that of the Pacman type cofacial cobalt porphyrins. The assembly has been characterized by UV-visible spectroscopy, Surface Second Harmonic Generation, and Scanning Electron Microscopy. Density functional theory calculations confirm the possibility of formation of the catalytic CoTMPyP4+/ CoTPPS4- complex and its capability to bind oxygen.

  DOI：

  10.1021/ja2087322

文献信息

• The Pacman Effect:  A Supramolecular Strategy for Controlling the Excited-State Dynamics of Pillared Cofacial Bisporphyrins
  作者：Christopher J. Chang、Zhi-Heng Loh、Yongqi Deng、Daniel G. Nocera

  DOI：10.1021/ic034750w

  日期：2003.12.1

  The molecular recognition properties of dizinc(II) bisporphyrin anchored by dibenzofuran (DPD), Zn2(DPD) (1), were evaluated as a strategy for utilizing the Pacman effect to control the excited-state properties of cofacial bisporphyrin motifs. Crystallographic studies establish that DPD furnishes a cofacial system with vertical flexibility and horizontal preorganization. The structure determination

  评价了用二苯并呋喃（DPD），Zn2（DPD）（1）锚定的双卟啉二锌（II）的分子识别特性，作为利用Pacman效应控制界面双卟啉基序的激发态特性的策略。晶体学研究表明，DPD提供了具有垂直柔性和水平预组织的界面系统。底物结合的DPD物质Zn2（DPD）（2-氨基嘧啶）（2）的结构确定完成了一组结构上同源的卟啉锌（II）主体和客体-客体复合物，可为吃豆子对底物络合的影响。结合研究表明，相对于传统的面对面双卟啉系统，DPD框架对嘧啶的封装会显着降低熵的损失（约60 J mol（-1）K（-1））。底物结合时的构象能量成本。瞬态吸收光谱显示，DPD裂隙内的底物包封会显着影响界面双卟啉的激发态动力学。与游离主体1相比，主体-客体复合物2的发射寿命增加了一个数量级以上。在没有客体的情况下，激发态动力学受卟啉环绕其芳基环的扭转运动支配。 DPD支柱。主客体结合减弱了这种构象的灵活性，从而消除了有效的非辐射衰变途径。
• Direct Observation of the “Pac-Man” Effect from Dibenzofuran-Bridged Cofacial Bisporphyrins
  作者：Yongqi Deng、Christopher J. Chang、Daniel G. Nocera

  DOI：10.1021/ja992955r

  日期：2000.1.1