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Issue 26, 2012
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Combined IR absorption and modeling study of nanoporous zeolite imidazolate frameworks (ZIFs) filled with hydrogen

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Abstract

A combined IR absorption and first principles modelling study of zeolite imidazolate frameworks (ZIFs) filled with hydrogen is presented. It is shown that hydrogen physisorbed in a ZIF results in a number of absorption lines at around 4131, 4121, 4480, 4700, 4880, 5100, and 5280 cm−1, which are assigned to the Q(0), Q(1), S1(0), S1(1), 2S1(0), S1(0) + S1(1), and 2S1(1) ro-vibrational transitions of physisorbed H2, respectively. The latter three modes represent simultaneous excitation of molecular pairs, which implies that hydrogen physisorbed in ZIF occurs at a density close to that of the liquid and/or solid state. The adsorption onset temperature defined as the maximum temperature at which localized adsorption occurs was found to be around 80 K.

Graphical abstract: Combined IR absorption and modeling study of nanoporous zeolite imidazolate frameworks (ZIFs) filled with hydrogen

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Publication details

The article was received on 06 Feb 2012, accepted on 08 Aug 2012 and first published on 15 Aug 2012


Article type: Paper
DOI: 10.1039/C2RA20210G
Citation: RSC Adv., 2012,2, 9839-9845
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    Combined IR absorption and modeling study of nanoporous zeolite imidazolate frameworks (ZIFs) filled with hydrogen

    S. N. Yurchenko, B. Assfour, E. V. Lavrov and G. Seifert, RSC Adv., 2012, 2, 9839
    DOI: 10.1039/C2RA20210G

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