N. D. Chuvylkin, A. M. Tokmachev, A. V. Fionov, E. V. Lunina, “Cluster models in the quantum-chemical analysis of the coordination of imidazoline nitroxides on the surface of silica gel”, Mendeleev Commun., 1998, Volume 8, Issue 3,Pages <nobr>90–93</nobr>

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Mendeleev Commun., 1998 Volume 8, Issue 3, Pages 90–93 (Mi mendc4671)

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Cluster models in the quantum-chemical analysis of the coordination of imidazoline nitroxides on the surface of silica gel

N. D. Chuvylkin^a, A. M. Tokmachev^b, A. V. Fionov^b, E. V. Lunina^c

^a N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
^b Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^c State Scientific Centre of Russian Federation 'L.Ya. Karpov Institute of Physical Chemistry', Moscow, Russian Federation

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.

Language: English

DOI: 10.1070/MC1998v008n03ABEH000950

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