Abstract
Geometric conditions for interaction of an alcohol molecule with (100) surface of a-alumina were studied using computer models. The requirement of two-point adsorption of the alcohol via its hydroxyl group and its β-hydrogen on a pair of surface acidic and basic sites results in strong dependence of the reaction course on the geometric factor. Steric hindrances greatly influence reaction selectivity. The steric demands of the two-point adsorption state increase rapidly in the product series 1-alkene, cis-2-alkene and trans-2-alkene. Adsorption on Bronsted acid sites (surface hydroxyl groups) is much easier than adsorption on Lewis acid sites (aluminium cations).
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