K3B3O4(OH)4·2H2O：一种具有孤立[B3O4(OH)4](3-)阴离子基团的紫外非线性光学晶体。
K3B3O4(OH)4·2H2O: A UV Nonlinear Optical Crystal with Isolated [B3O4(OH)4](3-) Anion Groups.
作者信息
Liu Qiong, Zhang Xiangyu, Yang Zhihua, Zhang Fangfang, Liu Lili, Han Jian, Li Zhi, Pan Shilie
机构信息
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS , 40-1 South Beijing Road, Urumqi 830011, China.
University of Chinese Academy of Sciences , Beijing 100049, China.
出版信息
Inorg Chem. 2016 Sep 6;55(17):8744-9. doi: 10.1021/acs.inorgchem.6b01298. Epub 2016 Aug 9.
A potential ultraviolet (UV) nonlinear optical (NLO) material, K3B3O4(OH)4·2H2O, was successfully synthesized by hydrothermal methods. The compound crystallizes into the Cmc21 space group and exhibits isolated B3O4(OH)4 anion groups connected by O-H···O hydrogen bonds. The UV-vis diffuse reflectance spectrum shows that K3B3O4(OH)4·2H2O has a wide transparency range with an absorption edge below 190 nm. Powder second harmonic generation (SHG) measurements using 1064 nm radiation revealed a moderate efficiency, 0.8 × KDP. Additional particle size vs SHG efficiency measurements indicate that K3B3O4(OH)4·2H2O is type I phase-matchable. Our calculated results show that the borate groups as well as the waters of hydration determine the NLO properties of K3B3O4(OH)4·2H2O.
通过水热法成功合成了一种潜在的紫外（UV）非线性光学（NLO）材料K3B3O4(OH)4·2H2O。该化合物结晶为Cmc21空间群，并呈现出通过O-H···O氢键连接的孤立B3O4(OH)4阴离子基团。紫外可见漫反射光谱表明，K3B3O4(OH)4·2H2O具有宽的透明范围，吸收边低于190nm。使用1064nm辐射进行的粉末二次谐波产生（SHG）测量显示出中等效率，为0.8×KDP。额外的粒径与SHG效率测量表明，K3B3O4(OH)4·2H2O是I型相位匹配的。我们的计算结果表明，硼酸盐基团以及水合水决定了K3B3O4(OH)4·2H2O的NLO性质。
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