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

2008; Royal Society of Chemistry; Volume: 10; Issue: 32 Linguagem: Inglês

10.1039/b807458p

1463-9084

Konstanze Schröck, F. A. Schröder, Matthias Heyden, Roland A. Fischer, Martina Havenith,

Inorganic Fluorides and Related Compounds

In this article we report the detection and characterization of adsorbed interfacial water within the cages of the metal-organic framework MOF-5 (Zn(4)O(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.