Understanding CO 2 Dynamics in Metal–Organic Frameworks with Open Metal Sites
Year: 2013
Type: article
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.
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
Funder: U.S. Department of Energy
OpenAlex ID: W2019753828