Abstract
We introduce a new supramolecular strategy where an anion receptor modifies the selectivity ligands for cations. This is demonstrated by combining the classic anion receptor calix[4]pyrrole (C4P) and a phenolic ligand, which leads to remarkable enhancement in selectivity for Cs+ over Na+. Crystal structures and molecular simulations confirmed the persistent formation of ion-pair C4P-Cs+-phenolate complexes, while the smaller Na+ ion cannot efficiently interact.
| Original language | English |
|---|---|
| Pages (from-to) | 3590-3593 |
| Number of pages | 4 |
| Journal | Chemical Communications |
| Volume | 55 |
| Issue number | 25 |
| DOIs | |
| State | Published - 2019 |
Funding
† This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). ‡ Electronic supplementary information (ESI) available: Experimental and computational details, including Fig. S1–S4, Tables S1–S3, movies of MD trajectories, X-ray structures of Cs+:1:3a, Cs+:2:3a, and Cs+:2:3b, and Cartesian coordinates and electronic energies of the complexes. CCDC 1890448–1890450. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/ c9cc00287a
| Funders | Funder number |
|---|---|
| U.S. Department of Energy | |
| Office of Science | |
| Basic Energy Sciences | |
| Chemical Sciences, Geosciences, and Biosciences Division |