Enhanced Interlayer Interaction and Second-Harmonic-Generation Response in a KBe2BO3F2-Type Inorganic-Organic Hybrid Zinc Borate

A new inorganic-organic hybrid zinc borate was prepared under hydrothermal conditions. This compound is the first KBe2BO3F2 (KBBF) derivative with zinc borate layers linked by mononegatively charged amino acids. Notably, it exhibits a relatively large second-harmonic-generation response of about 2.0 times that of KBBF and a moderate birefringence for phase matching in the UV region. The enhanced interlayer interaction was evaluated by theoretical calculations based on density functional theory.

Automated summary

A new inorganic-organic hybrid zinc borate with enhanced interlayer interaction was synthesized, which exhibits a relatively large second-harmonic-generation response and moderate birefringence for phase matching in the UV region. The compound is the first KBBF derivative with zinc borate layers linked by mononegatively charged amino acids.