期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 59, 期 44, 页码 19468-19477出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201915561
关键词
carbon capture; carbon dioxide; DFT calculations; metal-organic frameworks; NMR spectroscopy
资金
- U.S. Department of Energy (DoE) under the National Energy Technology Laboratory (NETL) grant [FWP-00006194]
- U.S. DoE, Office of Science, Office of Basic Energy Sciences [DE-SC0019992]
- Molecular Foundry through the U.S. DoE, Office of Basic Energy Sciences [DE-AC02-05CH11231]
- DoE Office of Science [DE-AC02-06CH11357]
- National Institute of General Medical Sciences of the National Institutes of Health [F32GM120799]
- Philomathia Foundation
- SURF Rose Hills
A series of structurally diverse alcoholamine- and alkoxyalkylamine-functionalized variants of the metal-organic framework Mg-2(dobpdc) are shown to adsorb CO2 selectively via cooperative chain-forming mechanisms. Solid-state NMR spectra and optimized structures obtained from van der Waals-corrected density functional theory calculations indicate that the adsorption profiles can be attributed to the formation of carbamic acid or ammonium carbamate chains that are stabilized by hydrogen bonding interactions within the framework pores. These findings significantly expand the scope of chemical functionalities that can be utilized to design cooperative CO2 adsorbents, providing further means of optimizing these powerful materials for energy-efficient CO2 separations.
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