摘要

The ground-state geometry, second hyperpolarizabilities of the anthraquinone derivatives have been studied using finite field (FF) The molecular configurations and calculated gamma(zzzz) values are considerably affected by substituents. The third-order nonlinear optical property of 1,4-diamino-2,3-diphenoxy-anthraquinone has been measured using picosecond degenerate four-wave mixing. The third-order nonlinear optical susceptibility chi((3)) of the dye is as high as 1.16 x 10(-12) esu. The second hyperpolarizability (gamma) value is 5.71 X 10(-31) esu.