(C8H7N2O2)2[Bi2Br8]·2H2O and (C8H7N2O2)6[Bi2Cl10]Cl2·2H2O: Exploring Birefringent Crystals in Hybrid Halide Systems.

Abstract

In this study, new hybrid birefringent crystals of (C8H7N2O2)2[Bi2Br8]·2H2O and (C8H7N2O2)6[Bi2Cl10]Cl2·2H2O were successfully synthesized by introducing a new birefringent group [C8H7N2O2]+ by a simple aqueous solution evaporation method. They crystallize in the P21/n space group, and their structure consists mainly of the π-conjugated group [C8H7N2O2]+ and the octahedron centered on Bi3+. By first-principles calculations, the birefringence response comes from the [C8H7N2O2]+ group with a planar π-conjugated structure. Meanwhile, the synthesis, structure, first-principles calculations, and optical properties are reported in this paper.