The need for <i>operando</i> modelling of <sup>27</sup>Al NMR in zeolites: the effect of temperature, topology and water-Reference-Cited by-同舟云学术

The need for operando modelling of ²⁷Al NMR in zeolites: the effect of temperature, topology and water

Published:2023 Issue:34 Volume:14 Page:9101-9113
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Lei Chen¹,Erlebach Andreas¹,Brivio Federico¹,Grajciar Lukáš¹^ORCID,Tošner Zdeněk¹,Heard Christopher J.¹^ORCID,Nachtigall Petr¹^ORCID

Affiliation:

1. Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University in Prague, 128 43 Prague 2, Czech Republic

Abstract

Operando modelling of 27Al NMR in zeolites, showing the importance of hydration and dynamics in reproducing experimental data. Machine learning analysis obtains a simple correlation of chemical shielding which predicts chemical shifts accurately.

Funder

Grantová Agentura České Republiky

Univerzita Karlova v Praze

Ministerstvo Školství, Mládeže a Tělovýchovy

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/SC/D3SC02492J

Reference67 articles.

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3. Consideration of the Aluminum Distribution in Zeolites in Theoretical and Experimental Catalysis Research

4. The effect of water on the validity of Löwenstein's rule

5. Fast room temperature lability of aluminosilicate zeolites

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