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High-Field NMR, Reactivity, and DFT Modeling Reveal the γ-Al2 O3 Surface Hydroxyl Network.


ABSTRACT: Aluminas are strategic materials used in many major industrial processes, either as catalyst supports or as catalysts in their own right. The transition alumina γ-Al2 O3 is a privileged support, whose reactivity can be tuned by thermal activation. This study provides a qualitative and quantitative assessment of the hydroxyl groups present on the surface of γ-Al2 O3 at three different dehydroxylation temperatures. The principal [AlOH] configurations are identified and described in unprecedented detail at the molecular level. The structures were established by combining information from high-field 1 H and 27 Al solid-state NMR, IR spectroscopy and DFT calculations, as well as selective reactivity studies. Finally, the relationship between the hydroxyl structures and the molecular-level structures of the active sites in catalytic alkane metathesis is discussed.

SUBMITTER: Merle N 

PROVIDER: S-EPMC9541507 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature

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High-Field NMR, Reactivity, and DFT Modeling Reveal the γ-Al<sub>2</sub> O<sub>3</sub> Surface Hydroxyl Network.

Merle Nicolas N   Tabassum Tarnuma T   Scott Susannah L SL   Motta Alessandro A   Szeto Kai K   Taoufik Mostafa M   Gauvin Régis Michaël RM   Delevoye Laurent L  

Angewandte Chemie (International ed. in English) 20220803 37


Aluminas are strategic materials used in many major industrial processes, either as catalyst supports or as catalysts in their own right. The transition alumina γ-Al<sub>2</sub> O<sub>3</sub> is a privileged support, whose reactivity can be tuned by thermal activation. This study provides a qualitative and quantitative assessment of the hydroxyl groups present on the surface of γ-Al<sub>2</sub> O<sub>3</sub> at three different dehydroxylation temperatures. The principal [AlOH] configurations are  ...[more]

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