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

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-corr...

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Published inAngewandte Chemie Vol. 132; no. 44
Main Authors 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.
Format Journal Article
LanguageEnglish
Published United States German Chemical Society 26.12.2019
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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.
AbstractList 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.
Author Lee, Jung‐Hoon
Long, Jeffrey R.
Milner, Phillip J.
McGuirk, C. Michael
Porter‐Zasada, Leo B.
Neaton, Jeffrey B.
Siegelman, Rebecca L.
Kim, Eugene J.
Forse, Alexander C.
Mao, Victor Y.
Reimer, Jeffrey A.
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  fullname: Siegelman, Rebecca L.
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  organization: Department of ChemistryThe University of California, Berkeley Berkeley CA 94720 USA
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  organization: Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering and Dept. of Chemistry] (ORCID:0000000253241321
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Snippet Here, a series of structurally diverse alcoholamine- and alkoxyalkylamine-functionalized variants of the metal–organic framework Mg2(dobpdc) are shown to...
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SubjectTerms DFT-Berechnungen
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Kohlendioxid
Kohlenstoffbindung
Metall-organische Gerüste
NMR-Spektroskopie
Title Cooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal–Organic Frameworks
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