期刊
CHEMICAL PHYSICS LETTERS
卷 343, 期 1-2, 页码 151-158出版社
ELSEVIER
DOI: 10.1016/S0009-2614(01)00652-2
关键词
-
The gas phase and solution electron affinities and ionization potentials of uracil, thymine and a series of 5-halouracils (5XU, X = F, Cl, Br) are investigated with B3LYP. Halogen substitution has a smaller effect on the IP than the EA of U. The EAs are calculated to increase according to T < U < 5FU < 5CIU < 5BrU. The calculated barriers for the dissociation of the resulting 5XU anions to X- plus uracil-centered radicals decrease along the series 5FU(-) > 5CIU(-) > 5BrU(-). The calculated trends are consistent with suggestions that 5XUs enhance the sensitivity of deoxyribonucleic acid, DNA (ribonucleic acid, RNA) to ionizing radiation and that 5BrU leads to the greatest enhancement. (C) 2001 Elsevier Science B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据