Two Lanthanide Borate Chlorides LnB4O6(OH)2Cl (Ln = La, Ce) with Wide Ultraviolet Transmission Windows and Large Second-Harmonic Generation Responses.
Two Lanthanide Borate Chlorides LnB4O6(OH)2Cl (Ln = La, Ce) with Wide Ultraviolet Transmission Windows and Large Second-Harmonic Generation Responses.
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DOI：
10.1021/acs.inorgchem.8b02778
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发表时间：
2018-11
影响因子：
4.6
通讯作者：
Fengjiao Guo;Jian Han;Jianian Cheng;Zhihua Yang;Miriding Mutailipu;S. Pan
中科院分区：
文献类型：
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作者：
Fengjiao Guo;Jian Han;Jianian Cheng;Zhihua Yang;Miriding Mutailipu;S. Pan
合成并表征了两种硼酸盐氯化物LaB4O6(OH)2Cl和CeB4O6(OH)2Cl。它们都表现出与著名的 KBe2BO3F2 相似的结构，并具有由 [B4O8(OH)]2 基本构建块构建的二维 [B4O6(OH)2]∞ 层。通过热分析、红外光谱、紫外-可见-近红外光谱和二次谐波产生测量来研究它们的物理性质。结果表明，两者均具有较高的分解温度和较大的二次谐波产生响应（分别为2.3和2.1×KH2PO4），并且LaB4O6(OH)2Cl具有180 nm以下的深紫外截止边缘和较大的带隙。此外，还进行了第一性原理计算，以阐明电子结构在确定 LaB4O6(OH)2Cl 相关光学性质中的作用。这些结果表明LaB4O6(OH)2Cl可以被认为是紫外非线性光学材料的候选材料。
Two borate chlorides LaB4O6(OH)2Cl and CeB4O6(OH)2Cl have been synthesized and characterized. Both of them exhibit structure similar to that of notable KBe2BO3F2 and feature two-dimensional [B4O6(OH)2]∞ layers constructed by [B4O8(OH)]2 fundamental building blocks. Thermal analyses, infrared spectroscopy, UV-vis-NIR spectra, and second harmonic generation measurement were performed to investigate their physical properties. The results show that both of them have high decomposition temperatures and large second-harmonic generation responses (2.3 and 2.1 × KH2PO4, respectively), and LaB4O6(OH)2Cl possesses a deep-UV cutoff edge below 180 nm and large band gap. Moreover, the first-principle calculations were carried out to clarify the role of the electronic structure in determining the associated optical properties of LaB4O6(OH)2Cl. These results demonstrate that LaB4O6(OH)2Cl can be considered as a candidate for ultraviolet nonlinear optical material.