An ab initio configuration interaction study of deprotonation and dehydrogenation pathways of the hydronium cation

Large scale ab initio calculations are presented for the excited-state reactions of deprotonation and dehydrogenation of the hydronium cation. Experimental data are in close agreement with theoretical results. The presented excited-state properties of the hydronium cation are interesting for being a model for many excited-state processes, including proton transfer reactions.