The frontier orbital energy, superdelocalizability and charge density of a series of benzologous pyridine ligands have been calculated by using HMO. According to ${\Delta}E_{\pi}$ of ligands on the basis of the above results, it is concluded that the ...
The frontier orbital energy, superdelocalizability and charge density of a series of benzologous pyridine ligands have been calculated by using HMO. According to ${\Delta}E_{\pi}$ of ligands on the basis of the above results, it is concluded that the stabilities are in the order of 1,10-Phen > 4,5-Phen > 1,5-Phen > 8-Hox > Hox-azoquinolinato. And also, the reactivities of electrophilic, nucleophilic and radical reaction, and bond strength have been respectively studied by superdelocalizabilities and charge densities.