NMR crystallography of monovalent cations in inorganic matrixes: Li(+) siting and the local structure of Li(+) sites in ferrierites.
(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.
J. Heyrovský Institute of Physical Chemistry, The Czech Academy of Sciences, Dolejškova 3, CZ 182 23 Prague 8, Czech Republic. stepan.sklenak@jh-inst.cas.cz.
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P
Klein
J
J
Dedecek
H M
HM
Thomas
S R
SR
Whittleton
V
V
Pashkova
J
J
Brus
L
L
Kobera
S
S
Sklenak