Analysis of the Local Atomic Structure of the MIL-88а Metal–Organic Framework by Computer Simulation Using XANES Data

Experimental X-ray absorption spectra near the Fe K edge for as-synthesized MIL-88а metal–organic framework (MIL stands for Materials Institute Lavoisier) before and after activation have been obtained and analyzed for the first time. The theoretical analysis of experimental spectra has revealed cha...

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Bibliographic Details
Published in:JETP letters 2018-09, Vol.108 (5), p.318-325
Main Authors: Medvedev, P. V., Soldatov, M. A., Shapovalov, V. V., Tereshchenko, A. A., Gorban’, I. E., Fedorenko, A. G., Soldatov, A. V.
Format: Article
Language:English
Subjects:
Absorption spectra
Atomic
Atomic structure
Biological and Medical Physics
Biophysics
Computer simulation
Condensed Matter
Iron
Metal-organic frameworks
Molecular
Optical and Plasma Physics
Particle and Nuclear Physics
Physics
Physics and Astronomy
Quantum Information Technology
Solid State Physics
Spintronics
X ray absorption
X ray spectra
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Summary:Experimental X-ray absorption spectra near the Fe K edge for as-synthesized MIL-88а metal–organic framework (MIL stands for Materials Institute Lavoisier) before and after activation have been obtained and analyzed for the first time. The theoretical analysis of experimental spectra has revealed changes in the local atomic structure of iron at the desorption of water from pores of the studied material in the process of activation.
ISSN:0021-3640
1090-6487
DOI:10.1134/S0021364018170083