Cluster models in the quantum-chemical analysis of the coordination of imidazoline nitroxides on the surface of silica gel
Abstract
A 'minimal' cluster quantum-chemical model of paired acid sites on the surface of SiO2 is presented; the model provides adequate explanation of the radiospectroscopic and thermochemical data available on the two-centre and one-centre adsorption of nitroxide probes on the silica surface.