Can electron attachment alter tautomeric equilibrium of guanine? Theoretical ab initio study

G. H. Roehrig; N. A. Oyler; L. Adamowicz

doi:10.1016/0009-2614(94)00611-3

Can electron attachment alter tautomeric equilibrium of guanine? Theoretical ab initio study

G. H. Roehrig, N. A. Oyler, L. Adamowicz

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Abstract

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.

Original language	English (US)
Pages (from-to)	265-272
Number of pages	8
Journal	Chemical Physics Letters
Volume	225
Issue number	1-3
DOIs	https://doi.org/10.1016/0009-2614(94)00611-3
State	Published - Jul 29 1994

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "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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AU - Roehrig, G. H.

AU - Oyler, N. A.

AU - Adamowicz, L.

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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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Can electron attachment alter tautomeric equilibrium of guanine? Theoretical ab initio study

Abstract

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