Abstract
CNDO/2 studies of NH3 adsorption in terms of cluster models of theγ-Al2O3 surface sites have revealed that coordinatively unsaturated aluminium ions occupying tetrahedral and octahedral sites are Lewis acids that are stronger in the former case. NH3 molecule adsorption on these sites is accompanied by an increase in the H−N−H bond angle and a weakening of the N−H bond.
Abstract
Методом ППДП/2 с использованием кластерных моделей поверхностных центров показано, что имеющиеся на поверхностиγ-Al2O3 координационноненасыщенные ионы алюминия, обладающие тетраэдрической координацией, являются более сильными льюисовскими кислотами, чем таковые, обладающие октаэдрической координацией. Адсорбция молекулы NH3 на этих центрах сопровождается увеличением угла H−N−H и разрыхлением связи N−H.
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Fleisher, M.B., Golender, L.O. & Shimanskaya, M.V. Mo CNDO/2 studies of NH3 adsorption on Lewis acidic sites ofγ-Al2O3 surface. React Kinet Catal Lett 24, 25–29 (1984). https://doi.org/10.1007/BF02069596
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DOI: https://doi.org/10.1007/BF02069596