Collaborative Research: Understanding the reactivity of hydrogen atoms in solid parahydrogen

University Of Tennessee Knoxville, Knoxville TN

Investigators

Abstract

In this award,funded by the Chemical Structure, Dynamics and Mechanisms A (CSDM-A) Program of the Division of Chemistry Professor Robert J. Hinde of the Department of Chemistry of the University of Tennessee Knoxville and Professor David T. Anderson of the Chemistry Department of the University of Wyoming and their postdoctoral, graduate and undergraduate student researchers are working on a collaborative theoretical and experimental effort to understand the low-temperature reactivity of hydrogen atoms with other molecules in the ultra-cold environment of solid hydrogen. They are investigating the unique chemistry in these unusual systems, where the ordinary rules of chemistry do not apply. This research could shed light on the chemistry that takes place in non-terrestrial systems. Young scientists working on this project will receive excellent training in experimental physical chemistry and computational chemistry research. Prof. Hinde and Anderson are investigating the interesting reactivity of H atoms in para hydrogen matrices. These are ultra-cold environments where the effects of quantum mechanical behavior can dominate the reactivity. Among the topics being investigated are: (1) the study of the temperature dependence of H-atom reactions, where some reactions show Arrhenius behavior while others show abrupt increases at low temperatures; (2) determine H-atom solvation energies, where there is a subtle interplay between kinetic and potential energy contributions and fully-quantum many body methods need to be employed; and (3) the further development of infrared spectroscopic tools for investigating these systems. The chemical systems being studied include H + H2, H + N2O, H + NO, H + HCN, and H + C2H2. Students working in the groups of Hinde and Anderson will receive state-of-the-art training in advanced computational chemistry and low-temperature chemical physics, respectively. Both groups of students will benefit from close interaction with members of the other groups, broadening their training.