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 in | Angewandte Chemie Vol. 132; no. 44 |
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Main Authors | , , , , , , , , , , |
Format | Journal Article |
Language | English |
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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. |
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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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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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