Distonic isomers and tautomers of the adenine cation radical in the gas phase and aqueous solution

Combined experimental and computational study of adenine ion dissociations to shed some light on the formation, structures, and stabilities of distonic and ylid ions derived from adenine. The deprotonation of the amino group in the ionized adenine moiety in DNA is expected to produce a highly reactive radical that is able to abstract a hydrogen atom from thymine and amino acid residues exothermically.