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, M. Havenith

Research output: Contribution to journalArticlepeer-review

77 Scopus citations


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

Original languageEnglish (US)
Pages (from-to)4732-4739
Number of pages8
JournalPhysical Chemistry Chemical Physics
Issue number32
StatePublished - 2008
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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