A series of pentanary inorganic supramolecular sulfides (A₃X)[MB₁₂(MS₄)₃] (A = K, Cs; X = Cl, Br, I; M = Ga, In, Gd) featuring B₁₂S₁₂clusters

Z.-D. Sun, Y. Chi, H.-G. Xue and S.-P. Guo*

School of Chemistry & Chemical Engineering, Yangzhou University, Yangzhou, Jiangsu 225002, P. R. China

Abstract:A series of newpentanary inorganic supramolecular sulfides (A₃X)[MB₁₂(MS₄)₃] (A = Na, K, Cs; X = Cl, Br, I; M = Ga, In, Gd) have been synthesized using high-temperature solid-state reactions. They crystallize in the noncentrosymmetric hexagonal space groupP6₃22. Their structures feature MS₄tetrahedra saturated B₁₂icosahedron, and the latter is also alternatively connected with MS₆octahedron via sharing face to form a chain. [(K₃I)²⁺]_npolycationic chains fill in the 1D channels of the 3D open-framework {[MB₁₂(MS₄)₃]^2–}_n. A discussion about their structural chemistry is also presented. Their second-order nonlinear optical (NLO) properties are calculated using Material Studio software, and the results show that this series of thioborates show tunable NLO properties.

Inorganic Chemistry Frontiers2017,4, 1841–1847. IF = 4.036

文章链接：http://pubs.rsc.org/-/content/articlehtml/2017/qi/c7qi00396j