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Title: Capping the calix: How toluene completes cesium(i) coordination with calix[4]pyrrole

The role of solvent in molecular recognition systems is under-researched and often ignored, especially when the solvent is considered “non-interacting”. This study concerns the role of toluene solvent in cesium(I) recognition by calix[4]pyrrole. We show that π-donor interactions bind toluene molecules onto the open face of the cation-receptor complex, thus “capping the calix.” As a result, by characterizing this unusual aromatically-saturated complex, we show how “non-interacting” aromatic solvents can directly coordinate receptor-bound cations and thus influence recognition.
Authors:
 [1] ;  [2] ;  [3] ;  [1] ; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Accepted Manuscript
Journal Name:
ChemComm
Additional Journal Information:
Journal Volume: 53; Journal Issue: 41; Journal ID: ISSN 1359-7345
Publisher:
Royal Society of Chemistry
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Chemical Sciences, Geosciences, and Biosciences Division
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; separation sciences
OSTI Identifier:
1367215

Ellis, Ross J., Reinhart, Benjamin, Williams, Neil J., Moyer, Bruce A., and Bryantsev, Vyacheslav S.. Capping the calix: How toluene completes cesium(i) coordination with calix[4]pyrrole. United States: N. p., Web. doi:10.1039/C7CC02347B.
Ellis, Ross J., Reinhart, Benjamin, Williams, Neil J., Moyer, Bruce A., & Bryantsev, Vyacheslav S.. Capping the calix: How toluene completes cesium(i) coordination with calix[4]pyrrole. United States. doi:10.1039/C7CC02347B.
Ellis, Ross J., Reinhart, Benjamin, Williams, Neil J., Moyer, Bruce A., and Bryantsev, Vyacheslav S.. 2017. "Capping the calix: How toluene completes cesium(i) coordination with calix[4]pyrrole". United States. doi:10.1039/C7CC02347B. https://www.osti.gov/servlets/purl/1367215.
@article{osti_1367215,
title = {Capping the calix: How toluene completes cesium(i) coordination with calix[4]pyrrole},
author = {Ellis, Ross J. and Reinhart, Benjamin and Williams, Neil J. and Moyer, Bruce A. and Bryantsev, Vyacheslav S.},
abstractNote = {The role of solvent in molecular recognition systems is under-researched and often ignored, especially when the solvent is considered “non-interacting”. This study concerns the role of toluene solvent in cesium(I) recognition by calix[4]pyrrole. We show that π-donor interactions bind toluene molecules onto the open face of the cation-receptor complex, thus “capping the calix.” As a result, by characterizing this unusual aromatically-saturated complex, we show how “non-interacting” aromatic solvents can directly coordinate receptor-bound cations and thus influence recognition.},
doi = {10.1039/C7CC02347B},
journal = {ChemComm},
number = 41,
volume = 53,
place = {United States},
year = {2017},
month = {5}
}