Title: Supramolecular Chemistry of Selective Anion Recognition for Anions of Environmental Relevance

Abstract

This project had as its original focus the design and synthesis of polyammonium macrocyclic receptors for oxoanions of environmental importance and specifically those found in high level waste tanks. This third year of the project, we have added the goal of synthesizing lipophilic amide-based receptors in order to increase the potential for obtaining workable receptors for both separations and sensing applications. Three areas of emphasis are being explored. Major efforts are being made in the design and synthesis of receptors that exhibit highly selective binding for specified anions. A basic research component inherent in this effort is to devise new and improved synthetic techniques that would allow for obtaining economically feasible receptors. A second effort includes structure determination and thermodynamic studies in order to ascertain structural criteria for anion binding as well as to determine the strength of binding. A third area of thrust is in theory and involve s molecular dynamics simulations in order to assess the solution characteristics of the interactions between anions and their receptors. Theoretical studies are being performed in collaboration with Professor Krzysztof Kuczera. Additionally, two applications-oriented efforts are being explored. The fabrication of systems for liquid-liquid separations is being explored in a subcontract with Dr. Bruce Moyer at Oak Ridge National Laboratory. At the University of Kansas, a method known as ITIES (Interface between Two Immiscible Electrolyte Solutions) is being explored as a means to achieve sensors for the in situ quantitative determination of a variety of anions in groundwater. This is a collaborative effort with Professor George Wilson.