This project combined a variety of experimental and computational approaches to determine thermochemical properties of a number of nitrogen-rich energetic materials. A rapid flow, negative ion molecule flow reactor was employed to obtain gas phase acidities, and negative ion photoelectron spectroscopy provided electron affinities and structural information. The combination of these data with electronic structure calculations provided quantitative C-H bond strengths and site-specific acidities. The focus of these studies was ...
Investigations of the electron affinities of pyrazolyl, imidazolyl and triazoly radicals gave quantitative measurements of N-H bond strengths at the most acidic site, and provide the first detailed view of the low lying electronic excited states of the corresponding radicals. Importantly, very extensive vibronic coupling effects were observed, arising from lone pairs on adjacent nitrogen atoms. In collaboration with Professor John Stanton of the University of Texas at Austin, state-of-the-art ...
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