Theoretical Study of Molecular Anions

University Of Utah, Salt Lake City UT

Investigators

Abstract

Jack Simons of the University of Utah is supported by the Theoretical and Computational Chemistry Program to perform theoretical studies on the structures and dynamics of molecular anions. Analytic models for describing vibrationally induced electron ejection will be developed. Other applications include the interactions of low-energy electrons with DNA bases, electron binding to zwitterions, dipole-bound anions, and the electronic stability of dianions. This research advances the understanding of the nature of the chemical bond and of electronic dynamics through the study of unusual chemical species, including the prediction of new species whose existence may depend on new bonding paradigms. Also, laboratory findings will be interpreted in order to add to the knowledge base of molecular anions. The project on DNA damage may provide insight into genetic mutations and how to avoid them.