Enhanced Interlayer Interaction and Second-Harmonic-Generation Response in a KBe 2 BO 3 F 2 -Type Inorganic-Organic Hybrid Zinc Borate.

A new inorganic-organic hybrid zinc borate was prepared under hydrothermal conditions. This compound is the first KBe 2 BO 3 F 2 (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.