Loading of two related metal-organic frameworks (mofs), [Cu 2(bdc) 2(dabco)] and [Cu 2(ndc) 2(dabco)], with ferrocene

Romain Heck; Osama Shekhah; Olexandra Zybaylo; Peter G. Weidler; Frank Friedrich; Robert Maul; Wolfgang Wenzel; Christof Wöll

doi:10.3390/polym3031565

Loading of two related metal-organic frameworks (mofs), [Cu ₂(bdc) ₂(dabco)] and [Cu ₂(ndc) ₂(dabco)], with ferrocene

Romain Heck, Osama Shekhah, Olexandra Zybaylo, Peter G. Weidler, Frank Friedrich, Robert Maul, Wolfgang Wenzel, Christof Wöll^*

^*Corresponding author for this work

Advanced Membranes and Porous Materials Center

Research output: Contribution to journal › Article › peer-review

22 Scopus citations

Abstract

We have studied the loading of two related, similar porous metal-organic frameworks (MOFs) [Cu ₂(bdc) ₂(dabco)] (1), and [Cu ₂(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.

Original language	English (US)
Pages (from-to)	1565-1574
Number of pages	10
Journal	Polymers
Volume	3
Issue number	3
DOIs	https://doi.org/10.3390/polym3031565
State	Published - Sep 2011

Keywords

Ferrocene
Loading
Mofs

ASJC Scopus subject areas

Chemistry(all)
Polymers and Plastics

Access to Document

10.3390/polym3031565

Cite this

@article{e7bde04ec7454297afd28f6745b90e8f,

title = "Loading of two related metal-organic frameworks (mofs), [Cu 2(bdc) 2(dabco)] and [Cu 2(ndc) 2(dabco)], with ferrocene",

abstract = "We have studied the loading of two related, similar porous metal-organic frameworks (MOFs) [Cu 2(bdc) 2(dabco)] (1), and [Cu 2(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. M{\"o}ssbauer 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",

author = "Romain Heck and Osama Shekhah and Olexandra Zybaylo and Weidler, {Peter G.} and Frank Friedrich and Robert Maul and Wolfgang Wenzel and Christof W{\"o}ll",

year = "2011",

month = sep,

doi = "10.3390/polym3031565",

language = "English (US)",

volume = "3",

pages = "1565--1574",

journal = "Polymers",

issn = "2073-4360",

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TY - JOUR

T1 - Loading of two related metal-organic frameworks (mofs), [Cu 2(bdc) 2(dabco)] and [Cu 2(ndc) 2(dabco)], with ferrocene

AU - Heck, Romain

AU - Shekhah, Osama

AU - Zybaylo, Olexandra

AU - Weidler, Peter G.

AU - Friedrich, Frank

AU - Maul, Robert

AU - Wenzel, Wolfgang

AU - Wöll, Christof

PY - 2011/9

Y1 - 2011/9

N2 - We have studied the loading of two related, similar porous metal-organic frameworks (MOFs) [Cu 2(bdc) 2(dabco)] (1), and [Cu 2(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.

AB - We have studied the loading of two related, similar porous metal-organic frameworks (MOFs) [Cu 2(bdc) 2(dabco)] (1), and [Cu 2(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.

KW - Ferrocene

KW - Loading

KW - Mofs

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U2 - 10.3390/polym3031565

DO - 10.3390/polym3031565

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VL - 3

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JO - Polymers

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