Supramolecular chemistry of selective anion recognition for anions of environmental relevance. Progress report, October 1996--July 1997

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'This project has as its focus the design and synthesis of polyammonium macrocyclic receptors for oxoanions of environmental importance. The basic research aspects of this project involve synthesis (and the search for improved synthetic methods), solid state structure determination and thermodynamics studies (to ascertain structural criteria for and strength of anion binding), and molecular dynamics simulations (to assess solution characteristics of the interactions between anions and their receptors). Applications-oriented goals include the fabrication of more efficient anion-selective electrodes and the use of these compounds in liquid- liquid separations. The latter goal is the subcontract with Bruce Moyer at Oak Ridge ... continued below

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3 pages

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Bowman-James, K.; Wilson, G.S.; Kuczera, K. & Moyer, B. January 1, 1997.

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Description

'This project has as its focus the design and synthesis of polyammonium macrocyclic receptors for oxoanions of environmental importance. The basic research aspects of this project involve synthesis (and the search for improved synthetic methods), solid state structure determination and thermodynamics studies (to ascertain structural criteria for and strength of anion binding), and molecular dynamics simulations (to assess solution characteristics of the interactions between anions and their receptors). Applications-oriented goals include the fabrication of more efficient anion-selective electrodes and the use of these compounds in liquid- liquid separations. The latter goal is the subcontract with Bruce Moyer at Oak Ridge National Laboratory. This first year the authors have focused on nitrates and phosphates. Considerable progress has been made in the basic areas of synthesis, solid state Structure, and molecular dynamics. Anion selective electrodes have also be made which show promising selectivities for oxoanions of interest. Below are described the major findings and significance in the categories of synthesis, structure and molecular dynamics, and electrode studies. Synthesis. The synthesis of polyaza macrocycles which are the focus of these studies is often tedious and time-consuming. A major breakthrough which the authors have made this year is to identify other polyaza macrocycles, which also bind the desired anions, but which are simpler to synthesize via a two step Schiff base/reduction process with high yields. This is truly significant since now the authors can obtain large quantities of the macrocycles and do multiple studies at once (crystallizations, thermodynamics, electrode, and eventually separations). Most of their studies to date have focused on monocyclic systems, but they are now beginning to examine bicyclic macrocycles, which can be synthesized by the same method starting with the tetraamine known as tren.'

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3 pages

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  • Other: DE00013434
  • Report No.: EMSP-54864--97
  • Grant Number: FG07-96ER62307
  • DOI: 10.2172/13434 | External Link
  • Office of Scientific & Technical Information Report Number: 13434
  • Archival Resource Key: ark:/67531/metadc620295

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  • January 1, 1997

Added to The UNT Digital Library

  • June 16, 2015, 7:43 a.m.

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  • Aug. 3, 2016, 1:48 p.m.

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Bowman-James, K.; Wilson, G.S.; Kuczera, K. & Moyer, B. Supramolecular chemistry of selective anion recognition for anions of environmental relevance. Progress report, October 1996--July 1997, report, January 1, 1997; United States. (digital.library.unt.edu/ark:/67531/metadc620295/: accessed July 18, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.