关于嘧啶碱基同二聚体中准分子态形成的可能性。
On the possibility of excimer state formation in homodimers of the pyrimidine bases.
作者信息
Shulga S M, Danilov V I
出版信息
Nucleic Acids Res. 1976 Apr;3(4):1095-9. doi: 10.1093/nar/3.4.1095.
A detailed investigation of the ground state and the first excited state of the pyrimidine bases of uracil, cytosine, thymine and their stacked homodimers is carried out by the Extended Hückel method. The first exicted state is shown to be the (see article)-state. The excitation is localized mainly on the C5-C6 bond region. The energy dependence of the ground state and the first excited state of the homodimers on the mutual position of bases is considered. For every dimer a minimum on the exicted state potential curve is found. This fact creates the possibility for the formation of excimer. The obtained data give some reason for the suggestion about participation of the excimer state as a precursor of photodimer.
采用推广的休克尔方法对尿嘧啶、胞嘧啶、胸腺嘧啶及其堆积同二聚体的嘧啶碱基的基态和第一激发态进行了详细研究。第一激发态被证明是（见文章）态。激发主要定域在C5 - C6键区域。考虑了同二聚体的基态和第一激发态能量对碱基相互位置的依赖性。对于每个二聚体，在激发态势能曲线上都发现了一个最小值。这一事实为激基缔合物的形成创造了可能性。所获得的数据为激基缔合物态作为光二聚体前体参与反应的建议提供了一些依据。
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