| 438628-65-0

• CAS: 438628-65-0；936843-16-2；936843-15-1
• 化学式: C₈₈H₅₆N₈Zn₂
• 分子量: 1356.25
• InChiKey: NAFCIABBEWFBMW-OAYULUORSA-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：

  、 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  Structures and Ligand Exchange of N-Confused Porphyrin Dimer Complexes with Group 12 Metals

  摘要：

  N-confused 5,20-diphenylporphyrin (NCDPP, 1) formed 2:2 dimer complexes with group 12 metals both in the solid state and in solution. X-ray single-crystal analyses of the Zn(II) and Cd(II) complexes (7, 8) revealed that each metal ion is coordinated with three inner core nitrogens and a peripheral nitrogen of the other NCDPP in the pair. In the H-1 NMR spectra of 7, 8, and the Hg(II) complex (9), the outer alpha-H signals of the confused pyrrole ring appeared in the upfield region at 2.57, 3.44, and 3.60 ppm, respectively, due to the ring current effect by the coordinated porphyrins. In the case of the Cd(II) and Hg(II) complexes (8, 9), additional magnetic couplings with the metal nuclei of the partner rings were observed. The equilibrium constants (K) of the monomer exchange reaction at 25 degreesC were determined to be 2.5, 1.3, and 0.6 for the (Zn-Cd), (Cd-Hg), and (Zn-Hg) heterodimer complexes, respectively, from the H-1 NMR spectra of a solution containing two different dimers. Furthermore, a metal-transfer reaction from a Zn(II) NCP dimer complex to the free base porphyrin was demonstrated.

  DOI：

  10.1021/ic035294e
• 作为产物：
  描述：

  在 (C₂H₅)4NOH 作用下， 以 二氯甲烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  Flexible Inner and Outer Coordination of Zn(II) N-Confused Porphyrin Complex

  摘要：

  Tetra- and dinuclear Zn(II) N-confused porphyrin dimers (1, 2) and pyridine-coordinating Zn(II) monomer complex (3) were synthesized, and the ditopic, inner and outer coordination of Zn metal in the dimer complex (1) was demonstrated by X-ray analyses.

  DOI：

  10.1021/ja017016p

文献信息

• Formation, Spectral, Electrochemical, and Photochemical Behavior of Zinc N-Confused Porphyrin Coordinated to Imidazole Functionalized Fullerene Dyads
  作者：Francis D'Souza、Phillip M. Smith、Lisa Rogers、Melvin E. Zandler、D.-M. Shafiqul Islam、Yasuyaki Araki、Osamu Ito

  DOI：10.1021/ic0601687

  日期：2006.6.1

  porphyrin isomers formed well-defined 1:1 supramolecular dyads (C60Im:ZnNCP) via axial coordination. The dyads were characterized by optical absorption and emission, ESI-mass, 1H NMR, and electrochemical methods. The binding constant, K, was found to be 2.8 x 10(4) M(-1) for C60Im:ZnNCP. The geometric and electronic structure of C60Im:ZnNCP were probed by using DFT B3LYP/3-21G methods. The HOMO was found

  供体-受体二元体是用N稠合的卟啉锌（ZnNCP），四苯基卟啉锌的结构异构体作为供体，以及富勒烯作为电子受体而构建的。利用吡啶配位的N-稠合的卟啉锌（Py：ZnNCP）和锌-稠化的卟啉二聚体（ZnNCP-二聚体）这两种衍生物与带有咪唑的富勒并吡咯烷酮（C60Im）形成二元组。这些卟啉异构体通过轴向配位形成了明确定义的1：1超分子二元组（C60Im：ZnNCP）。通过光吸收和发射，ESI-质谱，1H NMR和电化学方法对二元组进行表征。对于C60Im：ZnNCP，发现结合常数K为2.8×10（4）M（-1）。用DFT B3LYP / 3-21G方法研究了C60Im：ZnNCP的几何和电子结构。发现HOMO位于ZnNCP实体上，而LUMO主要在富勒烯实体上。使用循环伏安法在邻二氯苯0.1 n-Bu4NClO4中探测C60Im：ZnNCP的电化学性质。发现Py：ZnNCP与Py：ZnTPP相比更容易被340