RUI: Supramolecular anion-pi and halogen-bonded complexes and their role in electron-transfer processes

Ball State University, Muncie IN

Investigators

Abstract

In this project funded by the Macromolecular, Supramolecular and Nanochemistry Program in the Division of Chemistry, Professor Sergiy Rosokha of the Department of Chemistry at Ball State University studies intermolecular interactions between molecules that have a halogen atom (fluorine, chlorine, bromine, iodine) and molecules with a negative charge (anions). These types of chemical interactions are recognized as a powerful tool for recognizing molecules, preparing materials, and designing pharmaceuticals. Professor Rosokha is studying the role of these novel types of intermolecular interactions in facilitating certain chemical reactions. These mechanistic studies should aid the development of more efficient synthetic methods and the study of chemical reactions in the environment. Professor Rosokha is also providing research and training opportunities for undergraduate and masters students at Ball State University. Professor Rosokha is studying the mechanistic role of anion-pi and halogen-bonded complexes in electron-transfer reactions. More generally, he is addressing solution-phase chemical transformations of both halogenated electrophiles and anionic nucleophiles. Through a combination of spectral (UV-Vis, FT-IR, NMR, ESR) measurements, electrochemical, X-ray structural studies, and computational analysis, Professor Rosokha is establishing the structural, thermodynamic and spectral characteristics of highly-reactive pre-equilibrium halogen-bonded and anion-pi complexes. The properties of these complexes are then being used to explain, predict and, ultimately, control kinetics and stereochemistry of the reactions of halogen-containing molecules with anions.