Cooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal–Organic Frameworks

Mao, Victor Y.; Milner, Phillip J.; Lee, Jung‐Hoon; Forse, Alexander C.; Kim, Eugene J.; Siegelman, Rebecca L.; McGuirk, C. Michael; Porter‐Zasada, Leo B.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Long, Jeffrey R.

doi:10.1002/ange.201915561

Title: Cooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal–Organic Frameworks

Journal Article · 26 December 2019 · Angewandte Chemie

DOI: https://doi.org/10.1002/ange.201915561 · OSTI ID:1634073

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Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering
Cornell Univ., Ithaca, NY (United States). Dept. of Chemistry and Chemical Biology
Univ. of California, Berkeley, CA (United States). Dept. of Physics and Kavli Energy Nanosciences Inst.; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry
Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering and Dept. of Chemistry and Berkeley Energy and Climate Inst.
Univ. of California, Berkeley, CA (United States). Dept. of Chemistry
Univ. of California, Berkeley, CA (United States). Dept. of Chemistry; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
Department of ChemistryThe University of California, Berkeley Berkeley CA 94720 USA
Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering and Dept. of Chemistry

Here, a series of structurally diverse alcoholamine- and alkoxyalkylamine-functionalized variants of the metal–organic framework Mg₂(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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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: National Institutes of Health (NIH); USDOE National Energy Technology Laboratory (NETL); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; SC0019992

OSTI ID:: 1634073

Journal Information:: Angewandte Chemie, Journal Name: Angewandte Chemie Journal Issue: 44 Vol. 132; ISSN 0044-8249

Publisher:: German Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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