Gd(NO3)(Se2O5)·3H2O: a nitrate–selenite nonlinear optical material with a short ultraviolet cutoff edge.

Autor: Wu, Chao, Li, Longhua, Lin, Lin, Huang, Zhipeng, Humphrey, Mark G., Zhang, Chi
Předmět:
Zdroj: Dalton Transactions: An International Journal of Inorganic Chemistry; 3/14/2020, Vol. 49 Issue 10, p3253-3259, 7p
Abstrakt: The first example of a rare-earth metal nitrate–selenite nonlinear optical (NLO) crystal, Gd(NO3)(Se2O5)·3H2O (1), was synthesized by hydrothermal reaction. This compound crystallizes in the noncentrosymmetric space group P212121, and its structure features two-dimensional (2D) [Gd(NO3)(Se2O5)] layers, extending to a pseudo-3D framework linked by hydrogen bonds. 1 exhibits a phase-matchable SHG efficiency about 0.2 times that of KH2PO4 (KDP) and a large laser damage threshold of 236.26 MW cm−2. The UV-Vis-NIR diffuse reflectance spectroscopy study shows that the UV cutoff edge of 1 is 224 nm, which is the shortest value observed among selenite-based NLO materials. The birefringence of 1 is 0.109@1064 nm based on density functional theory calculations. These optical properties make 1 a potential UV NLO material. Theoretical studies using density functional theory have been implemented to further understand the relationship between its optical properties and band structures. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index