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

0443990 - ÚFCH JH 2016 RIV GB eng J - Článek v odborném periodiku
Klein, Petr - Dědeček, Jiří - Thomas, Haunani M. - Whittleton, Sarah R. - Pashkova, Veronika - Brus, Jiří - Kobera, Libor - Sklenák, Štěpán
NMR crystallography of monovalent cations in inorganic matrixes: Li+ siting and the local structure of Li+ sites in ferrierites.
Chemical Communications. Roč. 51, č. 43 (2015), s. 8962-8965. ISSN 1359-7345. E-ISSN 1364-548X
Grant CEP: GA MŠMT(CZ) LD14010; GA ČR(CZ) GA15-14007S
Institucionální podpora: RVO:61388955 ; RVO:61389013
Klíčová slova: NMR crystallography * lithium * DFT
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie; CD - Makromolekulární chemie (UMCH-V)
Impakt faktor: 6.567, rok: 2015

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.
Trvalý link: http://hdl.handle.net/11104/0246595