Rb1.87Cs1.13B8O13(NO3): a new acentric borate-nitrate with two types of three-dimensional interpenetrating lattices.

Autor: Liu, Changyou, Liu, Xu, Feng, Qiuyuan, Hou, Ketian, Zhang, Bei, Lu, Juanjuan
Předmět:
Zdroj: New Journal of Chemistry; 1/14/2025, Vol. 49 Issue 2, p360-365, 6p
Abstrakt: Designing ultraviolet (UV) and deep-UV materials remains a great challenge, especially designing those with multiple anions. By incorporating [NO3] units into borates and using the high-temperature solution method, a new alkali metal borate-nitrate crystallizing in the acentric space group Pca21 was designed and synthesized successfully in sealed quartz tubes. This borate-nitrate, having the formula Rb1.87Cs1.13B8O13(NO3), consists of interpenetrating porous 3D covalent [B8O13] and ionic [(NO3)(Rb/Cs)3] lattices. It shows a short UV cut-off edge of about 228 nm, and a moderate birefringence (0.047@1064 nm) and SHG response (0.3 × KDP). First principles calculations show that B–O units and [NO3] units make the predominant contribution to the SHG effects. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index