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An excess electron connects uracil to glycine

Ab-initio study

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Abstract.

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.

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Authors and Affiliations

  1. Department of Chemistry, University of Arizona, 85721, Tucson, Arizona, USA

    A. F. Jalbout, K. Y. Pichugin & L. Adamowicz

Authors
  1. A. F. Jalbout
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  2. K. Y. Pichugin
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  3. L. Adamowicz
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Corresponding author

Correspondence to L. Adamowicz.

Additional information

Received: 18 April 2003, Published online: 22 July 2003

PACS:

31.15.Ar Ab initio calculations - 32.10.Hq Ionization potentials, electron affinities - 36.40.Wa Charged clusters

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Jalbout, A.F., Pichugin, K.Y. & Adamowicz, L. An excess electron connects uracil to glycine. Eur. Phys. J. D 26, 197–200 (2003). https://doi.org/10.1140/epjd/e2003-00224-4

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