Understanding CO2 Dynamics in Metal–Organic Frameworks with Open Metal Sites
Lin, Li-Chiang; Kim, Jihan; Kong, Xueqian; Scott, Eric; McDonald, Thomas M.; Long, Jeffrey R.; Reimer, Jeffrey A.; Smit, Berend
2013
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Abstract

Hopping along: Metal-organic frameworks such as Mg-MOF-74 possess open metal sites that interact strongly with CO2. Molecular simulations reveal detailed CO2 dynamics (hops between metal sites and localized fluctuations), which can be used to accurately explain the experimentally measured 13C NMR chemical shift anisotropy pattern. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Details

Title Understanding CO2 Dynamics in Metal–Organic Frameworks with Open Metal Sites
Author(s) Lin, Li-Chiang ; Kim, Jihan ; Kong, Xueqian ; Scott, Eric ; McDonald, Thomas M. ; Long, Jeffrey R. ; Reimer, Jeffrey A. ; Smit, Berend
Published in Angewandte Chemie International Edition
Volume 52
Issue 16
Pages 4410-4413
Date 2013
Publisher WILEY-VCH Verlag
ISSN 1521-3773
Keywords
DOI https://doi.org/10.1002/anie.201300446
Additional link URL
Laboratories LSMO
Record Appears in Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LSMO - Laboratory of molecular simulation
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Record creation date 2014-08-14

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