A 2 Hg x (SeO 3 ) y (A = K, Rb, Cs): Three Alkali Metal Mercury Selenites Featuring Unique 1D [HgO m (SeO 3 ) n ] ∞ Chains.

Herein, three alkali metal mercury selenites, K 2 Hg 2 (SeO 3 ) 3 , Rb 2 Hg 2 (SeO 3 ) 3 , and Cs 2 Hg 3 (SeO 3 ) 4 , were successfully obtained by a hydrothermal method. The three compounds featured same one-dimensional (1D) [HgO m (SeO 3 ) n ] ∞ chain structure that consisting of distorted Hg-O polyhedra and SeO 3 triangular pyramids with stereochemically active lone pair (SCALP) electrons. Interestingly, the rich coordination environment of Hg atoms and the size difference of alkali metal cations lead to diverse arrangement of SeO 3 groups, which makes them exhibit different birefringence. The band gaps of the three compounds indicate that they are potential ultraviolet (UV) optical materials. Detailed theoretical calculations demonstrate that the combined effects of SeO 3 triangular pyramids and Hg-O polyhedra are responsible for the optical characteristics of the reported compounds.