On the theoretical reports on 7-azaindole base-pair phototautomerization

被引:25
作者
Douhal, A
Moreno, M
Lluch, JM
机构
[1] Univ Castilla La Mancha, Fac Ciencias Medio Ambiente, Dept Quim Fis, Toledo 45071, Spain
[2] Univ Autonoma Barcelona, Dept Quim, Unitat Quim Fis, E-08193 Barcelona, Spain
关键词
D O I
10.1016/S0009-2614(00)00572-8
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
In this Letter, we cite recent and previous reports on the phototautomerization of the 7-azaindole dimer (a widely used model for DNA base-pair tautomerization) in order to shed light on the molecular basis of its photodynamics. In agreement with quantum and dynamic calculations at the S-1 state and with the results of femtosecond experiments from three independent groups using an array of ultrafast techniques, we conclude that the double proton transfer in the dimer occurs through a step-wise process. We emphatically contradict the conclusion of Catalan, del Valle and Kasha who based their findings on ground-state calculations and stationary experiments. (C) 2000 Elsevier :Science B.V. All rights reserved.
引用
收藏
页码:75 / 80
页数:6
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