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Polymers 2011, 3(3), 1565-1574; doi:10.3390/polym3031565

Loading of Two Related Metal-Organic Frameworks (MOFs), [Cu2(bdc)2(dabco)] and [Cu2(ndc)2(dabco)], with Ferrocene

1 Institut für Funktionelle Grenzflächen, Karlsruher Institut für Technologie, Hermann-von-Helmholtz-Platz 1, B 330, D-76344 Eggenstein-Leopoldshafen, Germany 2 Steinbuch Center for Computing, Karlsruher Institut für Technologie (KIT), Karlsruhe 76021, Germany 3 DFG Center for Functional Nanostructures, Karlsruher Institut für Technologie (KIT), Karlsruhe 76021, Germany 4 Institut für Nanotechnology (INT), Karlsruher Institut für Technologie (KIT), Karlsruhe 76021, Germany
* Author to whom correspondence should be addressed.
Received: 9 July 2011 / Revised: 30 August 2011 / Accepted: 20 September 2011 / Published: 21 September 2011
(This article belongs to the Special Issue Coordination Polymers)
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We have studied the loading of two related, similar porous metal-organic frameworks (MOFs) [Cu2(bdc)2(dabco)] (1), and [Cu2(ndc)2(dabco)] (2) with ferrocene by exposing bulk powder samples to the corresponding vapor. On the basis of powder X-ray diffraction data and molecular dynamics (MD) calculations we propose that each pore can store one ferrocene molecule. Despite the rather pronounced similarity of the two MOFs a quite different behavior is observed, for 1 loading with ferrocene leads to an anisotropic 1% contraction, whereas for 2 no deformation is observed. Mössbauer spectroscopy studies reveal that the Fe oxidation level remains unchanged during the process. Time dependent studies reveal that the diffusion constant governing the loading from the gas-phase for 1 is approximately three times larger than the value for 2.
Keywords: ferrocene; loading; MOFs ferrocene; loading; MOFs
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Heck, R.; Shekhah, O.; Zybaylo, O.; Weidler, P.G.; Friedrich, F.; Maul, R.; Wenzel, W.; Wöll, C. Loading of Two Related Metal-Organic Frameworks (MOFs), [Cu2(bdc)2(dabco)] and [Cu2(ndc)2(dabco)], with Ferrocene. Polymers 2011, 3, 1565-1574.

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