An excess electron connects uracil to glycine: Ab-initio study

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

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)197-200
Number of pages4
JournalEuropean Physical Journal D
Volume26
Issue number2
DOIs
StatePublished - Oct 1 2003

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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