Comparative energies of Zn(II) cation localization as a function of the distance between two forming cation position aluminium ions in high-silica zeolites

N.A. Kachurovskaya, G.M. Zhidomirov, R.A. van Santen

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Abstract

Periodical calculations of Zn(II) metal cation stabilization in cationic positions with distantly placed aluminium ions has been performed for high-silica ferrierite. It was found that decrease of the stabilization energy at large distances between Al ions (more than 10 Å) is about of 2 eV in comparison with nearest possible position of two Al ions in the zeolite lattice and weekly depended on following increase of the Al-Al distance. Main changes in stabilization energy occured within a 3-Å interval of these distances. Only for the localizations of both Al ions in one zeolite ring zinc cationic form is more stable than hydrogen form.
Original languageEnglish
Pages (from-to)99-103
JournalResearch on Chemical Intermediates
Volume30
Issue number1
DOIs
Publication statusPublished - 2004

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