TY - JOUR
T1 - Can electron attachment alter tautomeric equilibrium of guanine? Theoretical ab initio study
AU - Roehrig, G. H.
AU - Oyler, N. A.
AU - Adamowicz, L.
N1 - Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.
PY - 1994/7/29
Y1 - 1994/7/29
N2 - Ab initio calculations performed in this work show that the two major tautomers of guanine have positive, but very small, electron affinities. The adiabatic values are 0.034 and 0.00038 eV for the oxo-amino and hydroxy-amino forms, respectively. The large difference in the electron affinities should lead to a significant difference in the tautomeric equilibria of the neural and anionic guanines in the gas phase.
AB - Ab initio calculations performed in this work show that the two major tautomers of guanine have positive, but very small, electron affinities. The adiabatic values are 0.034 and 0.00038 eV for the oxo-amino and hydroxy-amino forms, respectively. The large difference in the electron affinities should lead to a significant difference in the tautomeric equilibria of the neural and anionic guanines in the gas phase.
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U2 - 10.1016/0009-2614(94)00611-3
DO - 10.1016/0009-2614(94)00611-3
M3 - Article
AN - SCOPUS:0000820660
SN - 0009-2614
VL - 225
SP - 265
EP - 272
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -