Abstract
Complete basis set and Gaussian ab initio computational studies were performed on the methyl radical and ethane with the target being to explore the possibility for their multiple protonation. Structures of these protonated compounds were all optimized at the MP2/6-31G(d,p) theory level. The potential energy surface was explored for each and every protonated system and structures and the energies for the global minima are reported. Enthalpies of protonation as well as for the hydrogen association reaction with ethane were computed and the stability of various protonated isomers were discussed.
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