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Issue 32, 2008
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Characterization of interfacial water in MOF-5 (Zn4(O)(BDC)3)—a combined spectroscopic and theoretical study

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Abstract

In this article we report the detection and characterization of adsorbed interfacial water within the cages of the metal–organic framework MOF-5 (Zn4O(BDC)3) by terahertz time-domain spectroscopy (THz TDS) in the frequency range from 5 to 46 cm−1. The experimental spectra suggest a coupling of the intermolecular motions of the water molecules adsorbed to the collective vibrations of the network at 4 wt% hydration. This finding is supported by the results of MD simulations. When increasing the water content to 8 wt% we observed a non reversible decomposition of MOF-5.

Graphical abstract: Characterization of interfacial water in MOF-5 (Zn4(O)(BDC)3)—a combined spectroscopic and theoretical study

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Publication details

The article was received on 01 May 2008, accepted on 02 Jul 2008 and first published on 15 Jul 2008


Article type: Paper
DOI: 10.1039/B807458P
Citation: Phys. Chem. Chem. Phys., 2008,10, 4732-4739

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    Characterization of interfacial water in MOF-5 (Zn4(O)(BDC)3)—a combined spectroscopic and theoretical study

    K. Schröck, F. Schröder, M. Heyden, R. A. Fischer and M. Havenith, Phys. Chem. Chem. Phys., 2008, 10, 4732
    DOI: 10.1039/B807458P

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