Anion Electronic Structures and Dynamics

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 explore the quantum chemistry and dynamics of molecular anionic species. His research focuses on (1) destabilization in dianions containing distinct electron binding sites, (2) Rydberg valence bound species, (3) the energetics of electron photodetachment from dianions, and (4) the dynamics of vibration/rotation-to-electronic energy flow leading to photodetachment. Extensive collaboration with experimental efforts is a key feature of this research program. The tools of theoretical chemistry are used to study unusual species which exhibit novel bonding situations and/or unusual physical phenomena. Consequently it is often possible to predict new species whose existence depends on new bonding paradigms, fulfilling chemistry's central mission as science of synthesis. In addition, the interpretation of laboratory findings is more and more frequently dependent on the tools of theoretical chemistry due to the complexity of the molecular systems under study.