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Cooperative Carbon Dioxide Adsorption in Alcoholamine‐ and Alkoxyalkylamine‐Functionalized Metal–Organic Frameworks
Author(s) -
Mao Victor Y.,
Milner Phillip J.,
Lee JungHoon,
Forse Alexander C.,
Kim Eugene J.,
Siegelman Rebecca L.,
McGuirk C. Michael,
Zasada Leo B.,
Neaton Jeffrey B.,
Reimer Jeffrey A.,
Long Jeffrey R.
Publication year - 2020
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201915561
Subject(s) - carbamic acid , van der waals force , adsorption , chemistry , density functional theory , metal organic framework , hydrogen bond , carbamate , carbon dioxide , molecule , combinatorial chemistry , inorganic chemistry , chemical engineering , computational chemistry , organic chemistry , engineering
A series of structurally diverse alcoholamine‐ and alkoxyalkylamine‐functionalized variants of the metal–organic framework Mg 2 (dobpdc) are shown to adsorb CO 2 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 CO 2 adsorbents, providing further means of optimizing these powerful materials for energy‐efficient CO 2 separations.