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

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摘要 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.

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	李雁强
	罗军华
	季祥海
	赵三根

关键词 ： sulfates, nonlinear optical materials, thermal stability, short-wave ultraviolet, flux method

Abstract：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.

Key words： sulfates nonlinear optical materials thermal stability short-wave ultraviolet flux method

收稿日期: 2019-05-07 出版日期: 2020-03-12

基金资助:This work was financially supported by the National Natural Science Foundation of China (21833010, 21571178, 21601188, 51872297, 51802321)

通讯作者: zhaosangen@fjirsm.ac.cn E-mail: zhaosangen@fjirsm.ac.cn

引用本文:

李雁强;罗军华;季祥海;赵三根. A Short-wave UV Nonlinear Optical Sulfate of High Thermal Stability[J]. 结构化学, 2020, 39(3): 485-492.
LI Yan-Qiang;LUO Jun-Hua;JI Xiang-Hai;ZHAO San-Gen. A Short-wave UV Nonlinear Optical Sulfate of High Thermal Stability. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2020, 39(3): 485-492.

链接本文:

http://manu30.magtech.com.cn/jghx/CN/ 或 http://manu30.magtech.com.cn/jghx/CN/Y2020/V39/I3/485

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