Stabilization of an excess electron on uracil by a pair of HF molecules: Ab initio study

Claudio A. Morgado, K. Y. Pichugin, Ludwik Adamowicz

Research output: Contribution to journalArticle

3 Scopus citations

Abstract

Two HF molecules can stabilize an excess electron in an uracil anion in a covalent π state or in a diffuse σ state by directly interacting with the electron. The ab initio calculations performed in this work reveal several different configurational isomers of the complex of the uracil anion with the two HF molecules. The systems differ in terms of the structure of the solvation shell around the excess electron.

Original languageEnglish (US)
Pages (from-to)19-23
Number of pages5
JournalChemical Physics Letters
Volume389
Issue number1-3
DOIs
StatePublished - May 1 2004

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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