Second-Harmonic Generation in Homochiral Antimony Halides Directed by l-Histidine.

Three homochiral organic-inorganic hybrid antimony halides, namely, (L-Hhis) 2 Sb 2 Cl 8 ( 1 ), L-H 2 his·SbBr 5 ·H 2 O ( 2 ), and (L-H 2 his) 2 ·Sb 3 I 13 ·4H 2 O ( 3 ), were prepared to investigate the structure-directing roles of l-histidine (l-his). These compounds feature dimeric, chainlike, and trimeric structures with different optical bandgaps. They display second-harmonic-generation (SHG) responses of 0.1, 2.6, and 0.05 times that of KH 2 PO 4 , respectively. Theoretical calculations for compound 2 were carried out to get insights into its structure-property relationship.