Abstract
The adsorption of CO on amorphous silica-alumina (ASA) was calculated by DFT. CO appears as a probe of the electrostatic field induced by the whole surface, at the origin of a so-called vibrational Stark effect responsible for the CO frequency shifts. Brønsted acidity of the ASA sites does not directly correlate CO frequency shifts.
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Schedule a callMore From: Journal of the Chemical Society Chemical Communications
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