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 language | English (US) |
|---|---|
| Pages (from-to) | 360-369 |
| Number of pages | 10 |
| Journal | Chemical Physics Letters |
| Volume | 256 |
| Issue number | 4-5 |
| DOIs | |
| State | Published - Jul 5 1996 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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Smets, J., McCarthy, W. J., & Adamowicz, L. (1996). Water molecule enhances dipole-bound electron affinity of 1-methyl-cytosine. Chemical Physics Letters, 256(4-5), 360-369. https://doi.org/10.1016/0009-2614(96)00453-8