https://scholars.lib.ntu.edu.tw/handle/123456789/611526
Title: | Understanding CO2 dynamics in metal-organic frameworks with open metal sites | Authors: | Lin L.-C. Kim J. Kong X. Scott E. McDonald T.M. Long J.R. Reimer J.A. Smit B. LI-CHIANG LIN |
Keywords: | Carbon dioxide capture;Chemical shift anisotropy;Metal organic framework;Metal sites;Molecular simulations;NMR chemical shifts;Chemical shift;Crystalline materials;Dynamics;Metals;Nuclear magnetic resonance spectroscopy;Carbon dioxide;carbon dioxide;organometallic compound;article;chemical structure;chemistry;nuclear magnetic resonance spectroscopy;thermodynamics;Carbon Dioxide;Magnetic Resonance Spectroscopy;Models, Molecular;Organometallic Compounds;Thermodynamics | Issue Date: | 2013 | Journal Volume: | 52 | Journal Issue: | 16 | Start page/Pages: | 4410-4413 | Source: | Angewandte Chemie - International Edition | 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. |
URI: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84876217879&doi=10.1002%2fanie.201300446&partnerID=40&md5=23a0d6d5a73d9d675bbe1e2e5216212e https://scholars.lib.ntu.edu.tw/handle/123456789/611526 |
DOI: | 10.1002/anie.201300446 |
Appears in Collections: | 化學工程學系 |
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