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

Autor:	Petr Klein, Haunani M. Thomas, Veronika Pashkova, Sarah R. Whittleton, Libor Kobera, Jiri Brus, Jiri Dedecek, Štěpán Sklenák
Rok vydání:	2015
Předmět:	Mas nmr spectroscopy Chemistry Metals and Alloys General Chemistry Local structure Catalysis Surfaces Coatings and Films Electronic Optical and Magnetic Materials Monovalent Cations Molecular dynamics Crystallography Materials Chemistry Ceramics and Composites Zeolite Conformational sampling
Zdroj:	Chemical communications (Cambridge, England). 51(43)
ISSN:	1364-548X
Popis:	(7)Li-(7)Li 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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fc650aa7f3e7fb3f5bdfb61d87b64a26 https://pubmed.ncbi.nlm.nih.gov/25929791 Zobrazit plný text záznamu