A new nonlinear optical sulfate of layered structure: Cs2Zn2(SO4)3

Acentric structure is the indispensable condition for a compund to exhibit nonlinear optical (NLO) response. However, it's difficult for inorganic sulfates to crystallize in acentric structures. In this communication, a new acentric sulfate, Cs2Zn2(SO4)(3), has been synthesized by spontaneous crystallization method. The crystal structure of Cs2Zn2(SO4)(3) is layered and is composed of Zn-2(SO4)(3) layers and Cs+ cations, which is different from A(2)B(2)(SO4)(3) (A = K, Rb, B = Mg, Ca, Cd, Zn) type that owns three-dimensional framework. Powder NLO response suggest that Cs2Zn2(SO4)(3) exhibits a moderate second-order NLO response of about 0.15 x KH2PO4. Theoretical calculations were performed and elucidated that the origination of NLO response is from SO4 groups and ZnOn (n = 4, 5) polyhedra. This work will enrich the diversity of sulfate structure and provide new desgin strategy on the synthesis of novel NLO sulfates.

Automated summary

Inorganic sulfates crystallizing in acentric structures are essential for exhibiting nonlinear optical (NLO) response, but the process is challenging. This study synthesized a new acentric sulfate, Cs2Zn2(SO4)(3), showing a moderate second-order NLO response. The research enriches the diversity of sulfate structures and provides a new design strategy for the synthesis of novel NLO sulfates.