Theoretical Study on Nonlinear Optical (NLO) Properties of Modified DNA Bases
Satoru Yamada, Masa Yoshi Nakano, Ryohei Kishi, Tomoshige Nitta and Kizashi Yamaguchi
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.