Issue 8, 2017

Inside information on xenon adsorption in porous organic cages by NMR


A solid porous molecular crystal formed from an organic cage, CC3, has unprecedented performance for the separation of rare gases. Here, xenon was used as an internal reporter providing extraordinarily versatile information about the gas adsorption phenomena in the cage and window cavities of the material. 129Xe NMR measurements combined with state-of-the-art quantum chemical calculations allowed the determination of the occupancies of the cavities, binding constants, thermodynamic parameters as well as the exchange rates of Xe between the cavities. Chemical exchange saturation transfer (CEST) experiments revealed a minor window cavity site with a significantly lower exchange rate than other sites. Diffusion measurements showed significantly reduced mobility of xenon with loading. 129Xe spectra also revealed that the cage cavity sites are preferred at lower loading levels, due to more favourable binding, whereas window sites come to dominate closer to saturation because of their greater prevalence.

Graphical abstract: Inside information on xenon adsorption in porous organic cages by NMR

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Article information

Article type
Edge Article
03 May 2017
14 Jun 2017
First published
14 Jun 2017
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., 2017,8, 5721-5727

Inside information on xenon adsorption in porous organic cages by NMR

S. Komulainen, J. Roukala, Vladimir V. Zhivonitko, M. A. Javed, L. Chen, D. Holden, T. Hasell, A. Cooper, P. Lantto and V. Telkki, Chem. Sci., 2017, 8, 5721 DOI: 10.1039/C7SC01990D

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