Quantum-chemical evaluation of electron-donor properties of ordinary and modified carbon sorbents

The electron-donor properties of ordinary and modified activated carbons were compared on the basis of quantum-chemical calculations and electrochemical investigations. The mechanisms of the effect of heteroatoms and functional groups on the aromatic system of the carbon matrix were shown on the electronic level.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 25, No. 6, pp. 723–727, November–December, 1989.