A pcu topology metal-organic framework, Ni(1,4-bib)(inca)2, that exhibits high CO2/N2 selectivity and low water vapour affinity.

Abstract

Herein we report the synthesis of a new metal-organic framework, Ni(1,4-bib)(inca)₂ or pcu-1-Ni, where 1,4-bib = 1,4-bis(imidazol-1-yl)benzene, inca = indazole-5-carboxylic acid, through the crystal engineering strategy of using an N-donor linker to pillar a square lattice, sql, topology net. pcu-1-Ni adopts pcu topology and features two types of hydrophobic pore, small pore A and large pore B. The biporous nature of pcu-1-Ni is reflected in its stepped CO₂ and H2O adsorption isotherms, highlighting the influence of pore size and chemistry on gas and water vapour sorption properties. pcu-1-Ni exhibits the unusual combination of high CO₂/N₂ selectivity (IAST selectivity 100-250) and low water affinity at low RH (an S-shaped water vapour isotherm with an inflection point at 45-65% RH). Whereas pcu-1-Ni degrades upon repeated exposures to water vapour, its structure-property relationships can provide guidance for design of the next generation of CO2-selective sorbents. In this context, Canonical Monte Carlo simulations provide insight into the preferential adsorption of CO₂ over N₂ and H2O.

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Article information

Article type
Paper
Submitted
11 Mar 2025
Accepted
28 Apr 2025
First published
29 Apr 2025
This article is Open Access
Creative Commons BY license

J. Mater. Chem. A, 2025, Accepted Manuscript

A pcu topology metal-organic framework, Ni(1,4-bib)(inca)2, that exhibits high CO2/N2 selectivity and low water vapour affinity.

S. M. Shabangu, A. eaby, S. Javan Nikkhah, L. Croitor, T. He, A. A. Bezrukov, M. Vandichel and M. Zaworotko, J. Mater. Chem. A, 2025, Accepted Manuscript , DOI: 10.1039/D5TA01995H

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