Quantum-chemical investigation of some oligomeric heteroaromatic compounds

Autor: Kagan, G. I., Kosobutskii, V. A., Belyakov, V. K., Tarakanov, O. G.
Zdroj: Chemistry of Heterocyclic Compounds; October 1973, Vol. 9 Issue: 10 p1265-1270, 6p
Abstrakt: Those structures of aromatic imidazoles that can be realized in polybenzimidazoles were investigated within the framework of the computational scheme of the Pariser-Parr-Pople method. The features of the electronic structures of the investigated molecules were exposed. A judgment is expressed relative to the strength characteristics of the bonds in the imidazole rings during thermal or thermal oxidative destruction of aromatic polybenzimidazoles. The stereoisomerism of dibenzimidazoles was examined. The UV absorption spectra of the investigated compounds were interpreted.
Databáze: Supplemental Index