The place of sioh groups in the absolute acidity scale from ab initio calculations |
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| Authors: | Dietmar Heidrich Dietmar Volkmann Broniszxl;law Żurawski |
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| Institution: | Sektion Cliemie der Karl-Marx-Universität, Leipzig, GDR;Computing Centre, Nicholas Copernicus University, Toruń, Poland |
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| Abstract: | The deprotonation energy of a (H3Si)O-H group as a simplified structural element of silica gel and aluminosilicates is estimated from ab initio calculations on H2O, CH30H and SiH30H to be near 1475 kJ/mol. Results of the effect of Lewis acids on the Brønsted acidity of SiOH are given. |
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