NMR crystallography of monovalent cations in inorganic matrixes: Li+ siting and the local structure of Li+ sites in ferrierites

P. Klein; J. Dedecek; H. M. Thomas; S. R. Whittleton; V. Pashkova; J. Brus; L. Kobera; S. Sklenak

doi:10.1039/C5CC01830G

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NMR crystallography of monovalent cations in inorganic matrixes: Li⁺ siting and the local structure of Li⁺ sites in ferrierites†

P. Klein,^ab J. Dedecek,^a H. M. Thomas,^a S. R. Whittleton,^a V. Pashkova,^a J. Brus,^c L. Kobera^c and S. Sklenak*^a

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* Corresponding authors

^a J. Heyrovský Institute of Physical Chemistry, The Czech Academy of Sciences, Dolejškova 3, CZ 182 23 Prague 8, Czech Republic
E-mail: stepan.sklenak@jh-inst.cas.cz

^b Department of Inorganic Technology, Faculty of Chemical Technology, University of Pardubice, Doubravice 41, Pardubice, Czech Republic

^c Institute of Macromolecular Chemistry, The Czech Academy of Sciences, Heyrovsky sq. 2, Prague 6, Czech Republic

Abstract

⁷Li–⁷Li correlation MAS NMR spectroscopy, interpreted using periodic DFT including molecular dynamics conformational sampling of Li⁺ sites, is employed to obtain the siting of Li⁺ at exchangeable positions of ferrierites and the local structure of these Li⁺ sites. The former is controlled by the Al siting in the zeolite framework.

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Article information

DOI: https://doi.org/10.1039/C5CC01830G
Article type: Communication
Submitted: 03 Mar 2015
Accepted: 22 Apr 2015
First published: 23 Apr 2015
This article is Open Access

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Chem. Commun., 2015,51, 8962-8965

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NMR crystallography of monovalent cations in inorganic matrixes: Li⁺ siting and the local structure of Li⁺ sites in ferrierites

P. Klein, J. Dedecek, H. M. Thomas, S. R. Whittleton, V. Pashkova, J. Brus, L. Kobera and S. Sklenak, Chem. Commun., 2015, 51, 8962 DOI: 10.1039/C5CC01830G

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