Characteristics of flexibility in metal-organic framework solid solutions of composition [Zn2(BME-bdc)x(DB-bdc)2-xdabco]n: In situ powder X-ray diffraction, in situ NMR spectroscopy, and molecular dynamics simulations

Bon V, Pallmann J, Eisbein E, Hoffmann HC, Senkovska I, Schwedler I, Schneemann A, Henke S, Wallacher D, Fischer RA, Seifert G, Brunner E, Kaskel S (2015)

Publication Type: Journal article

Publication year: 2015

Journal

Microporous and Mesoporous Materials Elsevier

Book Volume: 216

Pages Range: 64-74

DOI: 10.1016/j.micromeso.2015.02.042

Abstract

Porosity switching in the crystalline solid state is a unique phenomenon observed only in a limited number of materials. The switching behavior of two metal-organic frameworks as well as their respective solid solutions of composition [Zn2(BME-bdc)x(DB-bdc)2-xdabco]n (x = 2; 1.5; 1.0; 0.5; 0) is studied in situ during the adsorption of CO2 and Xe using X-ray diffraction and NMR techniques. The diffraction data, measured during the adsorption suggest a direct one-step phase transition (switching) from the narrow pore phase to the large pore phase beyond the transition pressure. An intermediate phase was found only in one compound within a narrow pressure range around the phase transition pressure region. In situ high-pressure 13C NMR spectroscopy of adsorbed CO2 also allowed following the gating behavior of the studied materials by monitoring the signal of adsorbed CO2. The 13C NMR spectra exhibit a pronounced broadening indicating a certain degree of order for the adsorbed molecules inside the pores. This ordering effect and the resulting line broadening depend on the linker functionalization as could be confirmed by corresponding molecular dynamics (MD) simulations.

Involved external institutions

Technische Universität Dresden DE Germany (DE) Ruhr-Universität Bochum (RUB) DE Germany (DE) Helmholtz-Zentrum Berlin für Materialien und Energie (HZB) DE Germany (DE)

How to cite

APA:

Bon, V., Pallmann, J., Eisbein, E., Hoffmann, H.C., Senkovska, I., Schwedler, I.,... Kaskel, S. (2015). Characteristics of flexibility in metal-organic framework solid solutions of composition [Zn2(BME-bdc)x(DB-bdc)2-xdabco]n: In situ powder X-ray diffraction, in situ NMR spectroscopy, and molecular dynamics simulations. Microporous and Mesoporous Materials, 216, 64-74. https://doi.org/10.1016/j.micromeso.2015.02.042

MLA:

Bon, Volodymyr, et al. "Characteristics of flexibility in metal-organic framework solid solutions of composition [Zn2(BME-bdc)x(DB-bdc)2-xdabco]n: In situ powder X-ray diffraction, in situ NMR spectroscopy, and molecular dynamics simulations." Microporous and Mesoporous Materials 216 (2015): 64-74.

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