Cooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal–Organic Frameworks
Abstract
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.
- Authors:
-
[1];
[2];
[3];
[4];
[5];
[6];
[5];
[8]
- 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
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Energy Technology Laboratory (NETL); National Institutes of Health (NIH)
- OSTI Identifier:
- 1634073
- Alternate Identifier(s):
- OSTI ID: 1597159
- Grant/Contract Number:
- AC02-05CH11231; SC0019992; FWP-00006194; F32GM120799
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Angewandte Chemie
- Additional Journal Information:
- Journal Volume: 132; Journal Issue: 44; Journal ID: ISSN 0044-8249
- Publisher:
- German Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; DFT-Berechnungen; Kohlendioxid; Kohlenstoffbindung; Metall-organische Gerüste; NMR-Spektroskopie
Citation Formats
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., and Long, Jeffrey R. Cooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal–Organic Frameworks. United States: N. p., 2019.
Web. doi:10.1002/ange.201915561.
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. Cooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal–Organic Frameworks. United States. https://doi.org/10.1002/ange.201915561
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., and Long, Jeffrey R. Thu .
"Cooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal–Organic Frameworks". United States. https://doi.org/10.1002/ange.201915561. https://www.osti.gov/servlets/purl/1634073.
@article{osti_1634073,
title = {Cooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal–Organic Frameworks},
author = {Mao, Victor Y. and Milner, Phillip J. and Lee, Jung‐Hoon and Forse, Alexander C. and Kim, Eugene J. and Siegelman, Rebecca L. and McGuirk, C. Michael and Porter‐Zasada, Leo B. and Neaton, Jeffrey B. and Reimer, Jeffrey A. and Long, Jeffrey R.},
abstractNote = {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.},
doi = {10.1002/ange.201915561},
journal = {Angewandte Chemie},
number = 44,
volume = 132,
place = {United States},
year = {Thu Dec 26 00:00:00 EST 2019},
month = {Thu Dec 26 00:00:00 EST 2019}
}
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