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

Johan Smets, William J. McCarthy, Ludwik Adamowicz

Research output: Contribution to journalArticle

19 Citations (Scopus)

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
StatePublished - Jul 5 1996

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Electron affinity
Cytosine
electron affinity
dipoles
Molecules
Water
water
molecules
Electrons
electron attachment
tautomers
Dipole moment
dipole moments
alignment
electrons

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Water molecule enhances dipole-bound electron affinity of 1-methyl-cytosine. / Smets, Johan; McCarthy, William J.; Adamowicz, Ludwik.

In: Chemical Physics Letters, Vol. 256, No. 4-5, 05.07.1996, p. 360-369.

Research output: Contribution to journalArticle

Smets, Johan ; McCarthy, William J. ; Adamowicz, Ludwik. / Water molecule enhances dipole-bound electron affinity of 1-methyl-cytosine. In: Chemical Physics Letters. 1996 ; Vol. 256, No. 4-5. pp. 360-369.
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