Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach

In this work, mid-infrared (mid-IR), far-IR, and Raman spectra are presented for the distinct (meta)stable phases of the flexible metal-organic framework MIL-53(Al). Static density functional theory (DFT) simulations are performed, allowing for the identification of all IR-active modes, which is unp...

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Bibliographic Details

Published in:	Journal of physical chemistry. C Vol. 122; no. 5; p. 2734
Main Authors:	Hoffman, Alexander E J, Vanduyfhuys, Louis, Nevjestić, Irena, Wieme, Jelle, Rogge, Sven M J, Depauw, Hannes, Van Der Voort, Pascal, Vrielinck, Henk, Van Speybroeck, Veronique
Format:	Journal Article
Language:	English
Published:	United States 08.02.2018
ISSN:	1932-7447
Online Access:	Get more information
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