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Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material
Chemistry of Materials ( IF 7.2 ) Pub Date : 2016-03-30 00:00:00 , DOI: 10.1021/acs.chemmater.6b00360
Min Luo 1, 2 , Yunxia Song 1, 2 , Chensheng Lin 1 , Ning Ye 1 , Wendan Cheng 1 , XiFa Long 1
Affiliation  

It is a great challenge to explore deep-ultraviolet (deep-UV) nonlinear optical (NLO) materials that can achieve a subtle balance among large nonlinear coefficients, moderate birefringence, and deep-ultraviolet (UV) transparency. A new beryllium-free fluoride carbonate Ca2Na3(CO3)3F was successfully synthesized through molecular engineering design, and large single crystals were grown by spontaneous crystallization with molten fluxes. The substitution of NLO-active [BO3] groups for [CO3] groups resulted in an optimal balance among the SHG coefficient, birefringence, and UV transparency. Via comparison of these two iso-structural compounds, the second-harmonic generation coefficients and birefringence of Ca2Na3(CO3)3F have been greatly improved. Remarkably, Ca2Na3(CO3)3F exhibited a wide transparent region with a deep-UV absorption edge at 190 nm. These results demonstrated Ca2Na3(CO3)3F is a promising NLO material in the UV or deep-UV region.

中文翻译:

分子工程学作为一种新的无铍氟化碳酸盐作为深紫外非线性光学材料的设计方法

探索可在大非线性系数,中等双折射和深紫外线(UV)透明性之间实现微妙平衡的深紫外线(deep-UV)非线性光学(NLO)材料是一个巨大的挑战。通过分子工程设计成功合成了一种新的无铍碳酸氟钙Ca 2 Na 3(CO 33 F,并通过熔融助熔剂的自发结晶生长了大的单晶。NLO活性[BO 3 ]基团取代[CO 3]组在SHG系数,双折射和UV透明度之间达到最佳平衡。通过比较这两种同构化合物,Ca 2 Na 3(CO 33 F的二次谐波产生系数和双折射得到了极大的改善。值得注意的是,Ca 2 Na 3(CO 33 F表现出宽的透明区域,在190nm处具有深的UV吸收边缘。这些结果证明Ca 2 Na 3(CO 33 F是在UV或深UV区域中有希望的NLO材料。
更新日期:2016-03-30
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