Theoretical Study On Nonlinear Optical (NLO) Properties Of Modified DNA Bases

被引:0
|
作者
Yamada, Satoru [1 ]
Nakano, Masayoshi [2 ]
Kishib, Ryohei [2 ]
Nitta, Tomoshige [2 ]
Yamaguchi, Kizashi [1 ]
机构
[1] Osaka Univ, Grad Sch Sci, Dept Chem, Osaka 5600043, Japan
[2] Osaka Univ, Grad Sch Engn Sci, Dept Mat Engn Sci, Div Chem Engn, Osaka 5600043, Japan
关键词
Deoxyribose nucleic acid (DNA); Modified guanine; Radical species; Second hyperpolarizability(g); Substitution effect; Density functional theory(DFT);
D O I
暂无
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Nonlinear optical (NLO) properties of modified guanine bases having a nitronylnitroxide (NN) radical, which indicate unique third order NLO property, are investigated in order to examine the possibilities of DNA NLO materials. The molecular second hyperporalizabilities of the modified guanine derivatives are estimated by using hybrid density functional theory (DFT) calculations. By using hyperpolarizability density analysis, the electron attractive property of modified guanine part is found to reduce the unique NLO feature of NN radical
引用
收藏
页码:115 / 119
页数:5
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