biostudies-literatureMao VYPhilomathia FoundationFoundation for the National Institutes of HealthBasic Energy SciencesNational Energy Technology LaboratoryNIGMS NIH HHS19468-19477https://www.ebi.ac.uk/biostudies/studies/S-EPMC7316600biostudies-literatureUnknown59(44)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 CO<sub>2</Angewandte Chemie (International ed. in English)Cooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal-Organic Frameworks.PMC7316600DE-SC0019992F32GM120799DE-AC02-05CH11231FWP-00006194F32 GM120799McGuirk CMNeaton JBKim EJMilner PJForse ACSiegelman RLPorter-Zasada LBMao VYReimer JALong JRLee JHfalseCooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal-Organic Frameworks.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 CO<sub>2</2020-01-01T00:00:00Z2020 Oct2025-04-21T21:30:59.769Z2025-04-05T18:21:43.036ZS-EPMC73166003188004610.1002/anie.201915561