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Updated: May 25, 2026
Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of Chalcogenidoplumbates(II or IV)
Published on: December 29, 2016
Noncentrosymmetric inorganic open-framework chalcohalides with strong middle IR SHG and red emission: Ba3AGa5Se10Cl2
Peng Yu1, Liu-Jiang Zhou, Ling Chen
1Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China.
Abstract:
Novel SHG effective inorganic open-framework chalcohalides, Ba(3)AGa(5)Se(10)Cl(2) (A = Cs, Rb and K), have been synthesized by high temperature solid state reactions. These compounds crystallize in the tetragonal space group I ̅4 (No.82) with a = b = 8.7348(6) - 8.6341(7) Å, c = 15.697(3) - 15.644(2) Å, V = 1197.6(3) - 1166.2(2) Å(3) on going from Cs to K. The polar framework of (3)(∞)[Ga(5)Se(10)](5-) is constructed by nonpolar GaSe(4)(5- )tetrahedron (T1) and polar supertetrahedral cluster Ga(4)Se(10)(8-) (T2) in a zinc-blende topological structure with Ba/A cations and Cl anions residing in the tunnels. Remarkably, Ba(3)CsGa(5)Se(10)Cl(2) exhibits the strongest intensity at 2.05 μm (about 100 times that of the benchmark AgGaS(2) in the particle size of 30-46 μm) among chalcogenides, halides, and chalcohalides. Furthermore, these compounds are also the first open-framework compounds with red photoluminescent emissions. The Vienna ab initio theoretical studies analyze electronic structures and linear and nonlinear optical properties.
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