Issue 47, 2020

H2/CO2 separations in multicomponent metal-adeninate MOFs with multiple chemically distinct pore environments

Abstract

Metal–organic frameworks constructed from multiple (≥3) components often exhibit dramatically increased structural complexity compared to their 2 component (1 metal, 1 linker) counterparts, such as multiple chemically unique pore environments and a plurality of diverse molecular diffusion pathways. This inherent complexity can be advantageous for gas separation applications. Here, we report two isoreticular multicomponent MOFs, bMOF-200 (4 components; Cu, Zn, adeninate, pyrazolate) and bMOF-201 (3 components; Zn, adeninate, pyrazolate). We describe their structures, which contain 3 unique interconnected pore environments, and we use Kohn–Sham density functional theory (DFT) along with the climbing image nudged elastic band (CI-NEB) method to predict potential H2/CO2 separation ability of bMOF-200. We examine the H2/CO2 separation performance using both column breakthrough and membrane permeation studies. bMOF-200 membranes exhibit a H2/CO2 separation factor of 7.9. The pore space of bMOF-201 is significantly different than bMOF-200, and one molecular diffusion pathway is occluded by coordinating charge-balancing formate and acetate anions. A consequence of this structural difference is reduced permeability to both H2 and CO2 and a significantly improved H2/CO2 separation factor of 22.2 compared to bMOF-200, which makes bMOF-201 membranes competitive with some of the best performing MOF membranes in terms of H2/CO2 separations.

Graphical abstract: H2/CO2 separations in multicomponent metal-adeninate MOFs with multiple chemically distinct pore environments

Supplementary files

Article information

Article type
Edge Article
Submitted
09 Sept. 2020
Accepted
14 Okt. 2020
First published
15 Okt. 2020
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY license

Chem. Sci., 2020,11, 12807-12815

H2/CO2 separations in multicomponent metal-adeninate MOFs with multiple chemically distinct pore environments

Z. M. Schulte, Y. H. Kwon, Y. Han, C. Liu, L. Li, Y. Yang, A. G. Jarvi, S. Saxena, G. Veser, J. K. Johnson and N. L. Rosi, Chem. Sci., 2020, 11, 12807 DOI: 10.1039/D0SC04979D

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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