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

doi:10.1039/b807458p

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

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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 (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 language	English (US)
Pages (from-to)	4732-4739
Number of pages	8
Journal	Physical Chemistry Chemical Physics
Volume	10
Issue number	32
DOIs	https://doi.org/10.1039/b807458p
State	Published - 2008
Externally published	Yes

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Physics and Astronomy(all)
Physical and Theoretical Chemistry

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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 (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.",

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AU - Fischer, R. A.

AU - Havenith, M.

PY - 2008

Y1 - 2008

N2 - 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.

AB - 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.

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JF - Physical Chemistry Chemical Physics

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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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