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 |
| State | Published - Jul 5 1996 |
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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 journal › Article
}
TY - JOUR
T1 - Water molecule enhances dipole-bound electron affinity of 1-methyl-cytosine
AU - Smets, Johan
AU - McCarthy, William J.
AU - Adamowicz, Ludwik
PY - 1996/7/5
Y1 - 1996/7/5
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=0030570280&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0030570280
VL - 256
SP - 360
EP - 369
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-5
ER -