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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes
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Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes

机译：四苯基卟啉和酞菁基电荷转移复合物的分子间相互作用

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摘要

The effect of molecular modification on the intermolecular interactions in tetrabenzoporphyrin-based charge transfer complexes is reported. TPP[Fe-III(tbp)Cl-2](2), TPP[Co-III(tbp)Cl-2](2) and TPP[Co-III(tbp)Br-2](2) (TPP = tetraphenylphosphonium and tbp = tetrabenzoporphyrin) were synthesized and their crystal structures were compared to those of the reported TPP[M-III(tbp)(CN)(2)](2), TPP[Fe-III(tbp)Br-2](2) and TPP[M-III(Pc)L-2](2) complexes (Pc = phthalocyanine; and L = CN, Cl or Br). The prepared CT complexes were isostructural to reported systems. However, their intermolecular interactions were found to depend on the combination of the macrocyclic (Mc) and axial ligands (L). In Pc-based systems, the overlap integral between HOMOs of Pc decreased with the increase in the size of the axial ligand, which indicated that the intermolecular interactions in Pc-based systems were dominated by repulsive interactions. On the other hand, in tbp-based systems, attractive and repulsive interactions competed with each other. Furthermore, charge transport properties were found to depend on the central metal ion as well as the combination of Mc and L, which suggested that minor molecular modifications to porphyrin complexes will cause drastic changes in both inter- and intramolecular interactions.
机译：报道了分子改性对基于四苯基卟啉电荷转移复合物分子间相互作用的影响。 TPP [Fe-III（TBP）Cl-2]（2），TPP [CO-III（TBP）C1-2]（2）和TPP [CO-III（TBP）BR-2]（2）（TPP =合成四苯基鏻和TBP =四苯并卟啉，将它们的晶体结构与报道的TPP [M-III（TBP）（2）（2）]（2），TPP [Fe-III（TBP）BR-2]进行比较。 （2）和TPP [M-III（PC）L-2]（2）配合物（PC =酞菁;和L = CN，CL或BR）。制备的CT复合物是据报道的系统。然而，发现它们的分子间相互作用取决于大环（MC）和轴向配体（L）的组合。在基于PC的系统中，PC的HomoS之间的重叠积分随着轴向配体的尺寸的增加而降低，这表明基于PC的系统中的分子间相互作用是由排斥相互作用的主导。另一方面，在基于TBP的系统中，互相竞争的吸引力和排斥的交互。此外，发现电荷传输性能取决于中央金属离子以及MC和L的组合，这表明对卟啉复合物的次要分子修饰将导致分子内相互作用和分子内相互作用的剧烈变化。

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