GAS-PHASE DISSOCIATION DYNAMICS OF RADICAL CATIONS

Determining unimolecular dissociation mechanisms of radical cations is important to understand fundamental processes including ionizing radiation-induced DNA damage and initial energy release pathways in energetic molecules. Femtosecond time-resolved “pump-probe” measurements can follow these dissociation reactions on their natural timescales. Combined with quantum-chemical calculations of cationic electronic potential energy surfaces and reaction intermediates, these measurements can determine the reaction mechanisms with exquisite detail. Current projects focus on the reactions of organic phosphonates and phosphates as models for the DNA sugar-phosphate backbone and nitrotoluenes as models for nitroaromatic explosives. Future work will explore model systems for the deoxyribose sugar and nucleobases, as well as high-nitrogen content energetic molecules such as tetrazoles.

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RIGHT NOW PROJECTS

(tba)