Selective CO 2 Sorption Using Compartmentalized Coordination Polymers with Discrete Voids

Carbon capture and storage with porous materials is one of the most promising technologies to minimize CO release into the atmosphere. Here, we report a family of compartmentalized coordination polymers (CCPs) capable of capturing gas molecules in a selective manner based on two novel tetrazole-base...

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Published inChemistry : a European journal Vol. 27; no. 14; pp. 4653 - 4659
Main Authors Miguel-Casañ, Eugenia, Andres-Garcia, Eduardo, Calbo, Joaquín, Giménez-Marqués, Mónica, Mínguez Espallargas, Guillermo
Format Journal Article
LanguageEnglish
Published Germany 08.03.2021
Subjects
gas separation
voids
CO2
metal-organic frameworks
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Summary:Carbon capture and storage with porous materials is one of the most promising technologies to minimize CO release into the atmosphere. Here, we report a family of compartmentalized coordination polymers (CCPs) capable of capturing gas molecules in a selective manner based on two novel tetrazole-based ligands. Crystal structures have been modelled theoretically under the Density Functional Theory (DFT) revealing the presence of discrete voids of 380 Å . Single gas adsorption isotherms of N , CH and CO have been measured, obtaining a loading capacity of 0.6, 1.7 and 2.2 molecules/void at 10 bar and at 298 K for the best performing material. Moreover, they present excellent selectivity and regenerability for CO in mixtures with CH and N in comparison with other reported materials, as evidenced by dynamic breakthrough gas experiments. These frameworks are therefore great candidates for separation of gas mixtures in the chemical engineering industry.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.202004845