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Title:Unraveling the arrangement of Al and Fe within the framework explains the magnetism of mixed-metal MIL-100(Al,Fe)
Authors:ID Mali, Gregor (Author)
ID Mazaj, Matjaž (Author)
ID Arčon, Iztok (Author)
ID Hanžel, Darko (Author)
ID Arčon, Denis (Author)
ID Jagličić, Zvonko (Author)
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Work type:Not categorized
Typology:1.01 - Original Scientific Article
Organization:UNG - University of Nova Gorica
Abstract:Properties of mixed-metal MOFs depend on the distribution of different metals within their frameworks. Determination of this distribution is often very challenging. Using an example of aluminum- and iron-containing MIL-100, we demonstrate that 27Al NMR spectroscopy, when combined with first-principles calculations and magnetic, X-band electron paramagnetic resonance, Fe K-edge extended X-ray absorption fine structure, and Mössbauer measurements, enables one to accurately determine the arrangement of Al and Fe within the metal trimers, which are the basic building units of MIL-100. In this particular material, the incorporation of Fe and Al on the framework metal sites is random. Crucial for deciphering the arrangement is detecting NMR signals, shifted because of the strong hyperfine interaction between the 27Al nuclei and the unpaired electronic spins of Fe3+ ions, assigning the shifted signals aided by first-principles calculations of hyperfine couplings, and quantitatively evaluating the NMR intensities and the measured effective magnetic moment.
Keywords:Fe EXAFS, XANES, MIL100, MOF, magnetizem
Year of publishing:2019
Number of pages:str. 1464-1470
Numbering:#Vol. #10, #no. #6
PID:20.500.12556/RUNG-4441-6201104c-68fe-c0fe-884a-f360156e9657 New window
COBISS.SI-ID:32220711 New window
ISSN on article:1948-7185
DOI:10.1021/acs.jpclett.9b00341 New window
Publication date in RUNG:26.03.2019
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Record is a part of a journal

Title:#The #journal of physical chemistry letters
Shortened title:J. phys. chem. lett.
Publisher:American Chemical Society
Year of publishing:2019
COBISS.SI-ID:516049689 New window