https://doi.org/10.1140/epjd/e2003-00224-4
An excess electron connects uracil to glycine
Ab–initio study
Department of Chemistry, University of Arizona,
Tucson, Arizona 85721, USA
Corresponding author: a ludwik@u.arizona.edu
Received:
26
February
2003
Revised:
18
April
2003
Published online:
22
July
2003
In recent work Gutowski et al. [Eur. Phys. J. D 20, 431 (2002)] reported photoelectron–spectroscopy and theoretical study of covalent anion of the uracil–glycine complex. In present work we use ab initio calculations to describe an anionic complex of uracil and glycine where the excess electron is localized in a diffuse state between the two monomers. In this system the uracil and glycine molecules are separated by about 4.5 Å and the dipoles of the two monomers point at the excess electron located in the middle of the complex. The calculated fragmentation energy of the anion into a dipole–bound uracil anion and a neutral glycine molecule is 1.7 kcal/mol.
PACS: 31.15.Ar – Ab initio calculations / 32.10.Hq – Ionization potentials, electron affinities / 36.40.Wa – Charged clusters
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003
