DOI: 10.1070/MC1998v008n03ABEH000950
(Paper)
Mendeleev Commun., 1998, 8, 90-93
Cluster models in the quantum-chemical analysis of the coordination of imidazoline nitroxides on the surface of silica gel
(Note: The full text of this document is currently only available in the PDF Version )
Nikolay D. Chuvylkin , Andrey M. Tokmachev , Alexander V. Fionov and Elena V. Lunina
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.