WATER MOLECULE ENHANCES DIPOLE-BOUND ELECTRON-AFFINITY OF 1-METHYL-CYTOSINE

Citation
J. Smets et al., WATER MOLECULE ENHANCES DIPOLE-BOUND ELECTRON-AFFINITY OF 1-METHYL-CYTOSINE, Chemical physics letters, 256(4-5), 1996, pp. 360-369
Citations number
25
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
256
Issue
4-5
Year of publication
1996
Pages
360 - 369
Database
ISI
SICI code
0009-2614(1996)256:4-5<360:WMEDEO>2.0.ZU;2-Q
Abstract
We investigate electron attachment to water complexes of 1-methyl-cyto sine. In all the systems considered the excess electron is bonded to t he dipole field of the complex. The calculations show that in the case s of the amino-oxo tautomer with a water molecule H-bonded to the amin o group and with a water molecule H-bonded to the carbonyl group, enla rgement of the dipole moment due to alignment of the dipoles of the wa ter and base molecules leads to an almost four-fold increase of the el ectron affinity in comparison to the isolated 1-methyl-cytosine molecu le.