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High‐Field NMR, Reactivity, and DFT Modeling Reveal the γ‐Al(2)O(3) Surface Hydroxyl Network
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(2)O(3) is a privileged support, whose reactivity can be tuned by thermal activation. This study provides a qualitative and quantitativ...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9541507/ https://www.ncbi.nlm.nih.gov/pubmed/35785426 http://dx.doi.org/10.1002/anie.202207316 |
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author | Merle, Nicolas Tabassum, Tarnuma Scott, Susannah L. Motta, Alessandro Szeto, Kai Taoufik, Mostafa Gauvin, Régis Michaël Delevoye, Laurent |
author_facet | Merle, Nicolas Tabassum, Tarnuma Scott, Susannah L. Motta, Alessandro Szeto, Kai Taoufik, Mostafa Gauvin, Régis Michaël Delevoye, Laurent |
author_sort | Merle, Nicolas |
collection | PubMed |
description | 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(2)O(3) 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(2)O(3) 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. |
format | Online Article Text |
id | pubmed-9541507 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-95415072022-10-14 High‐Field NMR, Reactivity, and DFT Modeling Reveal the γ‐Al(2)O(3) Surface Hydroxyl Network Merle, Nicolas Tabassum, Tarnuma Scott, Susannah L. Motta, Alessandro Szeto, Kai Taoufik, Mostafa Gauvin, Régis Michaël Delevoye, Laurent Angew Chem Int Ed Engl Research Articles 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(2)O(3) 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(2)O(3) 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. John Wiley and Sons Inc. 2022-08-03 2022-09-12 /pmc/articles/PMC9541507/ /pubmed/35785426 http://dx.doi.org/10.1002/anie.202207316 Text en © 2022 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Research Articles Merle, Nicolas Tabassum, Tarnuma Scott, Susannah L. Motta, Alessandro Szeto, Kai Taoufik, Mostafa Gauvin, Régis Michaël Delevoye, Laurent High‐Field NMR, Reactivity, and DFT Modeling Reveal the γ‐Al(2)O(3) Surface Hydroxyl Network |
title | High‐Field NMR, Reactivity, and DFT Modeling Reveal the γ‐Al(2)O(3) Surface Hydroxyl Network
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title_full | High‐Field NMR, Reactivity, and DFT Modeling Reveal the γ‐Al(2)O(3) Surface Hydroxyl Network
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title_fullStr | High‐Field NMR, Reactivity, and DFT Modeling Reveal the γ‐Al(2)O(3) Surface Hydroxyl Network
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title_full_unstemmed | High‐Field NMR, Reactivity, and DFT Modeling Reveal the γ‐Al(2)O(3) Surface Hydroxyl Network
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title_short | High‐Field NMR, Reactivity, and DFT Modeling Reveal the γ‐Al(2)O(3) Surface Hydroxyl Network
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title_sort | high‐field nmr, reactivity, and dft modeling reveal the γ‐al(2)o(3) surface hydroxyl network |
topic | Research Articles |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9541507/ https://www.ncbi.nlm.nih.gov/pubmed/35785426 http://dx.doi.org/10.1002/anie.202207316 |
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