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Structural arrangement of zirconium sulfophenylphosphonate layers intercalated with Na , Cu2 and Fe3 cations

Authors: Zima Vítězslav | Škoda J. | Pospíšil M. | Kovář P. | Melánová Klára | Svoboda Jan | Beneš Ludvík

Year: 2018

Type of publication: ostatní - přednáška nebo poster

Page from-to: nestránkováno

Titles:

Language	Name	Abstract	Keywords
eng	Structural arrangement of zirconium sulfophenylphosphonate layers intercalated with Na , Cu2 and Fe3 cations	A structural arrangement of sodium, copper and iron cations intercalated in zirconium 4 sulfophenylphosphonate was suggested by molecular simulations methods. The calculations were focused on a detail description of the influence of individual cations on mutual positions of the host layers and arrangement of sulfo groups and water molecules. Results of the calculations were compared with experimental measurements (X-ray diffraction, TGA, chemical analysis).	Molecular modelling; zirkonium sulfophenylphosphonate; intercalates, cations