CUB-5: A Contoured Aliphatic Pore Environment in a Cubic Framework with Potential for Benzene Separation Applications

Macreadie, L, Mensforth, E, Babarao, R, Konstas, K, Telfer, S, Doherty, C, Tsanaktsidis, J, Batten, S and Hill, M 2019, 'CUB-5: A Contoured Aliphatic Pore Environment in a Cubic Framework with Potential for Benzene Separation Applications', Journal of the American Chemical Society, vol. 141, no. 9, pp. 3828-3832.


Document type: Journal Article
Collection: Journal Articles

Title CUB-5: A Contoured Aliphatic Pore Environment in a Cubic Framework with Potential for Benzene Separation Applications
Author(s) Macreadie, L
Mensforth, E
Babarao, R
Konstas, K
Telfer, S
Doherty, C
Tsanaktsidis, J
Batten, S
Hill, M
Year 2019
Journal name Journal of the American Chemical Society
Volume number 141
Issue number 9
Start page 3828
End page 3832
Total pages 5
Publisher American Chemical Society
Abstract One prominent aspect of metal organic frameworks (MOFs) is the ability to tune the size, shape, and chemical characteristics of their pores. MOF-5, with its open cubic connectivity of Zn 4 O clusters joined by two-dimensional, terephthalate linkers, is the archetypal example: Both functionalized and elongated linkers produce isoreticular frameworks that define pores with new shapes and chemical environments. The recent scalable synthesis of cubane-1,4-dicarboxylic acid (1,4-H 2 cdc) allows the first opportunity to explore its application in leading reticular architectures. Herein we describe the use of 1,4-H 2 cdc to construct [Zn 4 O(1,4-cdc) 3 ], referred to as CUB-5. Isoreticular with MOF-5, CUB-5 adopts a cubic architecture but features aliphatic, rather than aromatic, pore surfaces. Methine units point directly into the pores, delivering new and unconventional adsorption locations. Our results show that CUB-5 is capable of selectively adsorbing high amounts of benzene at low partial pressures, promising for future investigations into the industrial separation of benzene from gasoline using aliphatic MOF materials. These results present an effective design strategy for the generation of new MOF materials with aliphatic pore environments and properties previously unattainable in conventional frameworks.
Subject Thermodynamics and Statistical Physics
Membrane and Separation Technologies
Condensed Matter Modelling and Density Functional Theory
Keyword(s) Chemical characteristic
Chemical environment
Design strategies
Industrial separation
ITS applications
Low partial pressures
Metalorganic frameworks (MOFs)
Scalable synthesis
DOI - identifier 10.1021/jacs.8b13639
Copyright notice Copyright © 2019 American Chemical Society
ISSN 0002-7863
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