CAN ELECTRON-ATTACHMENT ALTER TAUTOMERIC EQUILIBRIUM OF GUANINE - THEORETICAL AB-INITIO STUDY

被引:53
作者
ROEHRIG, GH
OYLER, NA
ADAMOWICZ, L
机构
[1] Department of Chemistry, University of Arizona, Tucson
关键词
D O I
10.1016/0009-2614(94)00611-3
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 neutral and anionic guanines in the ps phase.
引用
收藏
页码:265 / 272
页数:8
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