title: Characterization of interfacial water in MOF-5 (Zn4(O)(BDC)3)--a combined spectroscopic and theoretical study.
abstract: 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.
authors.affiliation: Institute of Physical Chemistry II, Ruhr-University Bochum, Universitätsstrasse 150, Bochum, Germany.
authors.forename: K
authors.initials: K
authors.lastname: Schröck
authors.forename: F
authors.initials: F
authors.lastname: Schröder
authors.forename: M
authors.initials: M
authors.lastname: Heyden
authors.forename: R A
authors.initials: RA
authors.lastname: Fischer
authors.forename: M
authors.initials: M
authors.lastname: Havenith