Number of the records: 1
NMR crystallography of monovalent cations in inorganic matrixes: Li+ siting and the local structure of Li+ sites in ferrierites
- 1.0443990 - ÚFCH JH 2016 RIV GB eng J - Journal Article
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
R&D Projects: GA MŠMT(CZ) LD14010; GA ČR(CZ) GA15-14007S
Institutional support: RVO:61388955 ; RVO:61389013
Keywords : NMR crystallography * lithium * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry; CD - Macromolecular Chemistry (UMCH-V)
Impact factor: 6.567, year: 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.
Permanent Link: http://hdl.handle.net/11104/0246595
File Download Size Commentary Version Access 0443990.pdf 5 2 MB open access Publisher’s postprint open-access
Number of the records: 1