Crystal structure and nonlinear optical properties of 7,8-dihydroxyaminoacenaphthalene

Abstract

In this paper, 7,8-dihydroxyaminoacenaphthalene was synthesized by a convenient method. Its crystal structure was determined by X-ray diffraction. The crystal structure shows that the molecules aggregated to monoclinic crystal with space group [Formula: see text]. The semi-empirical method ZINDO was employed to study the static first hyperpolarizabilities of this compound. The static first hyperpolarizability value is [Formula: see text][Formula: see text]esu, which is 6.00 times as much as that of KH2PO4 (KDP) molecule. The results indicate that the title molecule would be potential nonlinear optical materials.