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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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Article information


Submitted
06 Feb 2012
Accepted
08 Aug 2012
First published
15 Aug 2012

RSC Adv., 2012,2, 9839-9845
Article type
Paper

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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