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

Abstract

Amount of unexpended funds: $24,000 (subcontract to Oak Ridge)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 liquidliquid separations. The latter goal is the subcontract with Bruce Moyer at Oak Ridge National Laboratory. This first year we 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.