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Title: Enhancing selectivity of cation exchange with anion receptors

Abstract

Introducing a new supramolecular approach where anion receptors are used to modify the selectivity of ligands for cations.

Authors:
ORCiD logo [1];  [1];  [1];  [1]; ORCiD logo [1];  [1]
  1. Oak Ridge National Laboratory; Oak Ridge; USA
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); UT-Battelle LLC/ORNL, Oak Ridge, TN (Unted States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1565760
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
ChemComm
Additional Journal Information:
Journal Volume: 55; Journal Issue: 25; Journal ID: ISSN 1359-7345
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
Chemistry

Citation Formats

Williams, Neil J., Roy, Santanu, Reynolds, Campbell O., Custelcean, Radu, Bryantsev, Vyacheslav S., and Moyer, Bruce A. Enhancing selectivity of cation exchange with anion receptors. United States: N. p., 2019. Web. doi:10.1039/c9cc00287a.
Williams, Neil J., Roy, Santanu, Reynolds, Campbell O., Custelcean, Radu, Bryantsev, Vyacheslav S., & Moyer, Bruce A. Enhancing selectivity of cation exchange with anion receptors. United States. doi:10.1039/c9cc00287a.
Williams, Neil J., Roy, Santanu, Reynolds, Campbell O., Custelcean, Radu, Bryantsev, Vyacheslav S., and Moyer, Bruce A. Tue . "Enhancing selectivity of cation exchange with anion receptors". United States. doi:10.1039/c9cc00287a.
@article{osti_1565760,
title = {Enhancing selectivity of cation exchange with anion receptors},
author = {Williams, Neil J. and Roy, Santanu and Reynolds, Campbell O. and Custelcean, Radu and Bryantsev, Vyacheslav S. and Moyer, Bruce A.},
abstractNote = {Introducing a new supramolecular approach where anion receptors are used to modify the selectivity of ligands for cations.},
doi = {10.1039/c9cc00287a},
journal = {ChemComm},
issn = {1359-7345},
number = 25,
volume = 55,
place = {United States},
year = {2019},
month = {1}
}

Works referenced in this record:

Calix[4]pyrrole: An Old yet New Ion-Pair Receptor
journal, April 2005

  • Custelcean, Radu; Delmau, Lætitia H.; Moyer, Bruce A.
  • Angewandte Chemie International Edition, Vol. 44, Issue 17
  • DOI: 10.1002/anie.200462945

α,α′,α″,α′″- meso -tetrahexyltetramethyl-calix[4]pyrrole: an easy-to-prepare, isomerically pure anion extractant with enhanced solubility in organic solvents
journal, October 2015


Pseudo‐Hydroxide Extraction in the Separation of Sodium Hydroxide from Aqueous Solutions Using Alkyl Phenols
journal, July 2006


Recognition and Extraction of Cesium Hydroxide and Carbonate by Using a Neutral Multitopic Ion-Pair Receptor
journal, August 2017

  • He, Qing; Peters, Gretchen Marie; Lynch, Vincent M.
  • Angewandte Chemie International Edition, Vol. 56, Issue 43
  • DOI: 10.1002/anie.201705788

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010

  • Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
  • The Journal of Chemical Physics, Vol. 132, Issue 15
  • DOI: 10.1063/1.3382344

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
journal, September 2010

  • Valiev, M.; Bylaska, E. J.; Govind, N.
  • Computer Physics Communications, Vol. 181, Issue 9, p. 1477-1489
  • DOI: 10.1016/j.cpc.2010.04.018

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
journal, May 2009

  • Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
  • The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
  • DOI: 10.1021/jp810292n

The CH/π hydrogen bond in chemistry. Conformation, supramolecules, optical resolution and interactions involving carbohydrates
journal, January 2011

  • Nishio, Motohiro
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 31
  • DOI: 10.1039/c1cp20404a

Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
journal, April 2005

  • VandeVondele, Joost; Krack, Matthias; Mohamed, Fawzi
  • Computer Physics Communications, Vol. 167, Issue 2
  • DOI: 10.1016/j.cpc.2004.12.014

Solvent binary extraction
journal, September 1999