Kinetics and Thermochemistry of Halogen and Nitrogen Compounds

Abstract

Halogen and nitrogen containing compounds play a key role in the atmospheric chemistry of the Earth. Through a mixed computational and experimental approach, the kinetics of these compounds with radicals common to the atmosphere have been explored. Using fundamental measurements such as the IR absorption cross-section, the rate constants of atmospheric reactions and the properties of product molecules have been derived. These results have been further extended to environmental applications such as the Global Warming Potential for a species. The present results can be used as a calibration for further experiments and as checks on computational predictions of environmental properties. Such modeling can aid in the development of future industrial reagents that are less hazardous to the atmosphere.