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Issue 10, 2010
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Site-specific Xe additions into Cu–ZSM-5 zeolite

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Abstract

Large-scale density functional theory (DFT) calculations found significant preferences of two-coordinated copper cations as Xe binding site in ZSM-5. Such site-preferences cannot be seen in usual adsorbents such as the CO or NO molecule inside Cu–ZSM-5 as well as the Xe atom inside alkali-metal exchanged ZSM-5s. A key factor in the specificity of the inner Xe atom is that interactions of the Xe atom with the extraframework copper cation are substantial relative to the extraframework alkali-metal cases, but weak relative to the CO and NO cases. Since the Xe atom can distinguish two-coordinated copper cations from others, it can be utilized to track sensitively the location of active sites of Cu–ZSM-5.

Graphical abstract: Site-specific Xe additions into Cu–ZSM-5 zeolite

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Publication details

The article was received on 14 Sep 2009, accepted on 16 Dec 2009 and first published on 19 Jan 2010


Article type: Paper
DOI: 10.1039/B919032E
Phys. Chem. Chem. Phys., 2010,12, 2392-2400

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    Site-specific Xe additions into Cu–ZSM-5 zeolite

    T. Yumura, H. Yamashita, H. Torigoe, H. Kobayashi and Y. Kuroda, Phys. Chem. Chem. Phys., 2010, 12, 2392
    DOI: 10.1039/B919032E

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