Water molecule enhances dipole-bound electron affinity of 1-methyl-cytosine

Johan Smets, William J. McCarthy, Ludwik Adamowicz

Research output: Contribution to journalArticle

19 Scopus citations

Abstract

We investigate electron attachment to water complexes of 1-methyl-cytosine. In all the systems considered the excess electron is bonded to the dipole field of the complex. The calculations show that in the cases of the amino-oxo tautomer with a water molecule H-bonded to the amino group and with a water molecule H-bonded to the carbonyl group, enlargement of the dipole moment due to alignment of the dipoles of the water and base molecules leads to an almost four-fold increase of the electron affinity in comparison to the isolated 1-methyl-cytosine molecule.

Original languageEnglish (US)
Pages (from-to)360-369
Number of pages10
JournalChemical Physics Letters
Volume256
Issue number4-5
DOIs
StatePublished - Jul 5 1996

ASJC Scopus subject areas

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

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