The DOI matches its Crossref record; 45 of the 45 references it cites were found in a registry or an index.
Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[n]arene Crystals
Open accessAbstract
Abstract The energy-efficient separation of alkylaromatic compounds is a major industrial sustainability challenge. The use of selectively porous extended frameworks, such as zeolites or metal–organic frameworks, is one solution to this problem. Here, we studied a flexible molecular material, perethylated pillar[n]arene crystals (n = 5, 6), which can be used to separate C8 alkylaromatic compounds. Pillar[6]arene is shown to separate para-xylene from its structural isomers, meta-xylene and ortho-xylene, with 90% specificity in the solid state. Selectivity is an intrinsic property of the pillar[6]arene host, with the flexible pillar[6]arene cavities adapting during adsorption thus enabling preferential adsorption of para-xylene in the solid state. The flexibility of pillar[6]arene as a solid sorbent is rationalized using molecular conformer searches and crystal structure prediction (CSP) combined with comprehensive characterization by X-ray diffraction and 13C solid-state NMR spectroscopy. The CSP study, which takes into account the structural variability of pillar[6]arene, breaks new ground in its own right and showcases the feasibility of applying CSP methods to understand and ultimately to predict the behavior of soft, adaptive molecular crystals.
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Nonporous Adaptive Crystals of Pillararenes
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Self-citationDiscrimination of xylene isomers in a stacked coordination polymer
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Metadata
- Authors
- Jie, K., Liu, M., Zhou, Y., Little, M. A., Pulido, A., Chong, S. Y., Stephenson, A., Hughes, A. R., Sakakibara, F., Ogoshi, T., Blanc, F., Day, G. M., Huang, F., & Cooper, A. I.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2018-05-12
- Volume
- 140
- Issue
- 22
- Pages
- 6921-6930
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2802129116
- Cited by
- 258
- References
- 45
- FWCI
- 11.92
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Jie, K., Liu, M., Zhou, Y., Little, M. A., Pulido, A., Chong, S. Y., Stephenson, A., Hughes, A. R., Sakakibara, F., Ogoshi, T., Blanc, F., Day, G. M., Huang, F., & Cooper, A. I. (2018). Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[n]arene Crystals. Journal of the American Chemical Society. https://doi.org/10.1021/jacs.8b02621
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