Excited Electronic and Vibrational State Decomposition of Energetic Materials and Model Systems on Both Nanosecond and Femtosecond Time Scales.

摘要

Energetic materials are studied as isolated species to learn the kinetics and dynamics of their unimolecular behavior. The behavior of these species is then compared with that of very similar model systems in order to enable the synthesis of new materials that will be energetic by design. This must be the first step in the determination of the unique characteristics that comprise energetic molecules. We now understand the properties of nitramine, furazan, tetrazine, tetazole and other high nitrogen content energetic molecules based on experimental and theoretical studies. We are presently studying the new imidazole systems that show important new behavior and systematics that promise to generate new concepts for energetic species. The experimental data for these systems consist of initial products and their energy content and partition, and parent molecule potential energy surfaces and conical intersections.