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NMR studies of benzene mobility in metal-organic framework MOF-5

Published online by Cambridge University Press:  11 August 2011

S. Hertel ,
M. Wehring ,
S. Amirjalayer ,
M. Gratz ,
J. Lincke ,
H. Krautscheid ,
R. Schmid  and
F. Stallmach
S. Hertel
Affiliation:
Fakultät für Physik und Geowissenschaften, Universität Leipzig, Linnéstrasse 5, 04103 Leipzig, Germany
M. Wehring
Affiliation:
Fakultät für Physik und Geowissenschaften, Universität Leipzig, Linnéstrasse 5, 04103 Leipzig, Germany
S. Amirjalayer
Affiliation:
Lehrstuhl für Anorganische Chemie II, Ruhr-Universität Bochum, 44780 Bochum, Germany
M. Gratz
Affiliation:
Fakultät für Physik und Geowissenschaften, Universität Leipzig, Linnéstrasse 5, 04103 Leipzig, Germany
J. Lincke
Affiliation:
Fakultät für Chemie und Mineralogie, Universität Leipzig, Johannisallee 29, 04103 Leipzig, Germany
H. Krautscheid
Affiliation:
Fakultät für Chemie und Mineralogie, Universität Leipzig, Johannisallee 29, 04103 Leipzig, Germany
R. Schmid
Affiliation:
Lehrstuhl für Anorganische Chemie II, Ruhr-Universität Bochum, 44780 Bochum, Germany
F. Stallmach*
Affiliation:
Fakultät für Physik und Geowissenschaften, Universität Leipzig, Linnéstrasse 5, 04103 Leipzig, Germany
*
ae-mail: stallmac@physik.uni-leipzig.de

Abstract

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The concentration and temperature dependence of the self-diffusion of benzene adsorbed in the metal-organic framework MOF-5 (IRMOF-1) is studied by pulsed field gradient (PFG) NMR spectroscopy. When increasing the loading from 10 to 20 molecules per unit cell of MOF-5, the experimental diffusion data drop by a factor of about 3 while current molecular dynamic (MD) simulations predict slightly increasing diffusion coefficients for this range of loadings. The observation is rationalized using the recently predicted clustering of adsorbate molecules in microporous systems for temperatures well below the adsorbate critical temperature. Necessary improvements of molecular simulation models for predicting diffusivities under such conditions are discussed.

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 55 , Issue 2: International Symposium on Flexible Organic Electronics 2010 (ISFOE) , August 2011 , 20702
Copyright
© EDP Sciences, 2011

References

Yaghi, O.M., Li, G., Groy, T.L., J. Solid State Chem. 117, 256 (1995)CrossRef
Eddaoudi, M., Kim, J., Rosi, N., Vodak, D., Wachter, J., O’Keeffe, M., Yaghi, O.M., Science 295, 469 (2002)CrossRef
Rowsell, J.L.C., Yaghi, O.M., Microporous Mesoporous Mater. 73, 3 (2004)CrossRef
Shimomura, S., Horike, S., Kitagawa, S., Chemistry and application of porous coordination polymers, in Proc. of 15th Int. Zeolite Conf., edited by Ruren Xu, J.C., Gao, Z., Yan, W., vol. 170, Studies in Surface Science and Catalysis (Elsevier, Amsterdam, 2007) pp. 1983–1990CrossRefGoogle Scholar
Férey, G., Mellot-Draznieks, C., Serre, C., Millange, F., Dutour, J., Surble, S., Margiolaki, I., Science 309, 2040 (2005)
Mueller, U., Schubert, M., Teich, F., Puetter, H., Schierle-Arndt, K., Pastré, J., J. Mater. Chem. 16, 626 (2006)CrossRef
Keskin, S., Sholl, D.S., Langmuir 25, 11786 (2009)CrossRef
Haldoupis, E., Nair, S., Sholl, D.S., J. Am. Chem. Soc. 132, 7528 (2010)CrossRef
Kaskel, S., Schüth, F., Stöcker, M., Microporous Mesoporous Mater. 73, 1 (2004)CrossRef
Kaskel, S., Chem. Ing. Tech. 82, 1019 (2010)CrossRef
Juan-Alcañiz, J., Ramos-Fernandez, E.V., Lafont, U., Gascon, J., Kapteijn, F., J. Catal. 269, 229 (2010)CrossRef
Skoulidas, A., Sholl, D.S., J. Phys. Chem. B 109, 15760 (2005)CrossRef
Amirjalayer, S., Tafipolsky, M., Schmid, R., Angew. Chem. Int. Edit. 46, 463 (2007)CrossRef
Xue, C., Zhou, Z., Liu, B., Yang, Q., Zhong, C., Mol. Simul. 35, 373 (2009)CrossRef
Krishna, R., van Baten, J.M., Langmuir 26, 3981 (2010)CrossRef
Heinke, L., Kaerger, J., New J. Phys. 10, 1 (2008)
Chmelik, C., Kaerger, J., Wiebcke, M., Caro, J., van Baten, J.M., Krishna, R., Microporous Mesoporous Mater. 117, 22 (2009)CrossRef
Chmelik, C., Bux, H., Caro, J., Heinke, L., Hibbe, F., Titze, T., Kaerger, J., Phys. Rev. Lett. 104, 085902-1 (2010)
Rosenbach, N. Jr., Jobic, H., Ghoufi, A., Salles, F., Maurin, G., Bourrelly, S., Llewellyn, P.L., Devic, T., Serre, C., Ferey, G., Angew. Chem. Int. Edit. 47, 6611 (2008)CrossRef
Salles, F., Kolokolov, D.I., Jobic, H., Maurin, G., Llewellyn, P.L., Devic, T., Serre, C., Ferey, G., J. Phys. Chem. C 113, 7802 (2009)CrossRef
Salles, F., Jobic, H., Devic, T., Llewellyn, P.L., Serre, C., Ferey, G., Maurin, G., Am. Chem. Soc. Nano 4, 143 (2010)
Stallmach, F., Galvosas, P., Annu. Rep. NMR Spectrosc. Review, vol. 61 (Elsevier, 2007) pp. 51–131Google Scholar
Wehring, M., Gascon, J., Dubbeldam, D., Kapteijn, F., Snurr, R.Q., Stallmach, F., J. Phys. Chem. C 114, 10527 (2010)CrossRef
Callaghan, P., Godefroy, S., Ryland, B., J. Magn. Reson. 162, 320 (2003)CrossRef
Pérez, D., Benavides, A., Martín-Landrove, M., Eur. Phys. J. Appl. Phys. 42, 321 (2008)CrossRef
Stallmach, F., Gröger, S., Künzel, V., Kärger, J., Yaghi, O.M., Hesse, M., Müller, U., Angew. Chem. Int. Edit. 45, 2123 (2006)CrossRef
Amirjalayer, S., Schmid, R., Microporous Mesoporous Mater. 125, 90 (2009)CrossRef
Li, H., Eddaoudi, M., O’Keeffe, M., Yaghi, O.M., Nature 402, 276 (1999)
Karge, H., Weitkamp, J. (eds.), Molecular Sieves - Adsorption and Diffusion (Springer-Verlag, Berlin, Heidelberg, 2008) p. 105 CrossRefGoogle Scholar
Stejskal, E.O., Tanner, J.E., J. Chem. Phys. 42, 288 (1965)CrossRef
Tanner, J.E., J. Chem. Phys. 52, 2523 (1970)CrossRef
Hahn, E.L., Phys. Rev. 80, 580 (1950)CrossRef
Valiullin, R.R., Skirda, V.D., Stapf, S., Kimmich, R., Phys. Rev. E 55, 2664 (1997)CrossRef
Cotts, R., Hoch, M., Sun, T., Markert, J., J. Magn. Reson. 83, 252 (1989)
Venkataramanan, L., Song, Y.Q., Hürlimann, M.D., IEEE Trans. Signal Process. 50, 1017 (2002)CrossRef
Song, Y.Q., Venkataramanan, L., Hürlimann, M.D., Flaum, M., Frulla, P., Straley, C., J. Magn. Reson. 154, 261 (2002)CrossRef
Hafizovic, J., Bjorgen, M., Olsbye, U., Dietzel, P.D.C., Bordiga, S., Prestipino, C., Lamberti, C., Lillerud, K.P., J. Am. Chem. Soc. 129, 3612 (2007)CrossRef
Loiseau, T., Muguerra, H., Férey, G., Haouas, M., Taulelle, F., J. Solid State Chem. 178, 621 (2005)CrossRef
Galvosas, P., Stallmach, F., Seiffert, G., Kärger, J., Kaess, U., Majer, G., J. Magn. Reson. 151, 260 (2001)CrossRef
Lide, D.R. (ed.), CRC Handbook of Chemistry and Physics, 87th edn. (CRC Press, Boca Raton, FL, 2006)Google Scholar