Is it possible to carry out a photoelectron spectroscopy experiment?
Martnez A Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico (UNAM), Circuito Exterior S/N, Ciudad Universitaria, 04510 Coyoacán, México Distrito Federal, México. martina@matilda.iimatercu.unam.mx The structure and bonding of guanine-Cu and uracil-Cu (neutral, anionic, and cationic) are discussed on the basis of the calculated structures and energies. The interaction of the metal atom with guanine and uracil has been analyzed using the B3LYP density-functional approach. The removal of one electron from the neutral complexes produces the stabilization of one of the isomers, while the addition of one electron leads to a system where the metal atom is weakly bounded to guanine or uracil, according to the metal-bases bond distance that is long (2.29-2.90). For guanine-Cu and uracil-Cu, the vertical ionization energy of the anion is close to the dissociation energy of one hydrogen atom from guanine-Cu or uracil-Cu. In these cases, it could be possible to pro