Ab initio calculations performed in this work show that the two major tautomers of guanine have positive, but very small, electron affinities. The adiabatic values are 0.034 and 0.00038 eV for the oxo-amino and hydroxy-amino forms, respectively. The large difference in the electron affinities should lead to a significant difference in the tautomeric equilibria of the neural and anionic guanines in the gas phase.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry