AIB3IIC2IIIQ6VIXVII: A Thioborate Halide Family for Developing Wide Bandgap Infrared Nonlinear Materials by Coupling Planar [BS3] and Polycations

Six new metal thioborates ABa3B2S6X (A = Rb, Cs; X = Cl, Br, I), belonging to a new AIB3IIC2IIIQ6VIXVIII${{\mathrm{A}}}^{\mathrm{I}}{\mathrm{B}}_3^{{\mathrm{II}}}{\mathrm{C}}_2^{{\mathrm{III}}}{\mathrm{Q}}_6^{{\mathrm{VI}}}{{\mathrm{X}}}^{{\mathrm{VIII}}}$ family, are designed by coupling NLO-active [BS3] planar units and halide-centered polycations, and synthesized by the flux method at a relatively low temperature of 650  °C. ABa3B2S6X (A = Rb, Cs; X = Br, I) show wide bandgaps ( ≈ 3.5 eV), high LIDT (≈ 6 × AGS), large NLO response (≈ 0.6 × AGS), demonstrating that planar [BS3] is a good NLO-active unit and thioborate halide is a promising system for the design of wide bandgap IR NLO materials. AbstractDeveloping high-performance infrared (IR) nonlinear optical (NLO) materials is urgent but challenging due to the competition between NLO coefficient and bandgap in one compound. Herein, by coupling NLO-active [BS3] planar units and halide-centered polycations, six new metal thioborate halides ABa3B2S6X (A = Rb, Cs; X = Cl, Br, I) composed of zero-dimensional [XBamRbn/Csn] polycations and [BS3] units, belonging to a new AIB3IIC2IIIQ6VIXVII${\mathrm{A}}^{\mathrm{I}}{\mathrm{B}}_{3}^{\mathrm{II}}{\mathrm{C}}_{2}^{\mathrm{III}}{\mathrm{Q}}_{6}^{\mathrm{VI}}{\mathrm{X}}^{\mathrm{VII}}$ family, are rationally designed and fabricated. The compounds show an interesting structural transition fromPbcn (ABa3B2S6Cl) toCmc21 (ABa3B2S6Br and ABa3B2S6I) driven by the clamping eff...
Source: Small - Category: Nanotechnology Authors: Tags: Research Article Source Type: research