Citation: Yan-Qiang LI, Jun-Hua LUO, Xiang-Hai JI, San-Gen ZHAO. A Short-wave UV Nonlinear Optical Sulfate of High Thermal Stability[J]. Chinese Journal of Structural Chemistry, ;2020, 39(3): 485-492. doi: 10.14102/j.cnki.0254-5861.2011-2447 shu

A Short-wave UV Nonlinear Optical Sulfate of High Thermal Stability

Yan-Qiang LI ^{a, b, c, d} ,
Jun-Hua LUO ^{a, c, d} ,
Xiang-Hai JI ^e ,
San-Gen ZHAO ^a,,

a.
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China
b.
Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China
c.
School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China
d.
University of the Chinese Academy of Sciences, Beijing 100049, China
e.
Shangdong Kangming Environmental Protection Co. Ltd., Dongying, Shangdong 257000, China

Corresponding author: San-Gen ZHAO, zhaosangen@fjirsm.ac.cn
Received Date: 6 May 2019
Accepted Date: 24 July 2019

Fund Project: the National Natural Science Foundation of China 21833010the National Natural Science Foundation of China 21571178the National Natural Science Foundation of China 21601188the National Natural Science Foundation of China 51872297the National Natural Science Foundation of China 51802321

Figures(5)

Compared with borates, carbonates, nitrates and phosphates, sulfates have been ignored as nonlinear optical (NLO) materials for a long time. Recently, researchers started to realize sulfates which have the potential as NLO materials, and synthesized some sulfate NLO materials by the water solution method and solvothermal method. However, all these sulfate NLO materials have the same problem of low thermal stability. Here, we synthesized a new Cs₄Mg₆(SO₄)₈, which crystallizes in the orthorhombic space group P2₁2₁2₁ with a = 9.102, b = 9.955, c = 16.127 Å, V = 1461.3 Å³, Z = 2, F(000) = 1352, μ = 5.777 mm^-1, R = 0.0213 and wR = 0.0480. The single crystal structure can be described as a three-dimensional framework constructed by MgO₆ octahedra and SO₄ tetrahedra. Relevant optical measurements indicate that Cs₄Mg₆(SO₄)₈ is short-wave ultraviolet transparent and has a moderate second harmonic generation response. Theoretical calculations by the CASTEP package reveal that S–O groups are NLO-active anionic groups. Significantly, Cs₄Mg₆(SO₄)₈ has high thermal stability up to 781 ℃ based on thermal analyses. We believe that our work will provide a new strategy for researchers to develop new sulfate short-wave ultraviolet NLO materials of high thermal stability.
- sulfates,
- nonlinear optical materials,
- thermal stability,
- short-wave ultraviolet,
- flux method
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