Pb2BO3Br: a novel nonlinear optical lead borate bromine with a KBBF-type structure exhibiting strong nonlinear optical response†,Inorganic Chemistry Frontiers

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Pb2BO3Br: a novel nonlinear optical lead borate bromine with a KBBF-type structure exhibiting strong nonlinear optical response†
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2018-02-15 00:00:00 , DOI: 10.1039/c8qi00026c
Min Luo _{1,

2,

3,

4,

5} , Yunxia Song _{1,

2,

3,

4,

5} , Fei Liang _{5,

6,

7,

8,

9} , Ning Ye _{1,

2,

3,

4,

5} , Zheshuai Lin _{3,

8,

9,

10,

11}

Affiliation

A potential ultraviolet (UV) nonlinear optical (NLO) material, Pb₂BO₃Br, has been successfully synthesized by a mild hydrothermal method. It crystallizes in the trigonal polar NCS space group P321 with lattice parameters a = 4.9601(8) Å, c = 6.733(2) Å, v = 143.46(6) Å³ and Z = 1. The title compound with a KBBF-type structure consists of a honeycomb-like [Pb₂BO₃] layer and Br anions. UV-Vis-NIR diffuse reflectance spectroscopy revealed that Pb₂BO₃Br exhibits wide transparent regions from UV to near-IR. The powder second harmonic generation (SHG) test showed that it is phase-matchable in the visible region and features a remarkable SHG effect of about 9.5 times that of KDP. In addition, the electronic structure calculations indicated that the prominent macroscopic SHG response of Pb₂BO₃Br mainly originated from the [BO₃]³⁻ trigonal-planar groups and distorted PbO₃ polyhedra.

中文翻译：

Pb ₂ BO ₃ Br：一种具有KBBF型结构的新型非线性光学硼酸溴溴，表现出较强的非线性光学响应†

通过温和的水热法成功地合成了潜在的紫外线（UV）非线性光学（NLO）材料Pb ₂ BO ₃ Br。该晶体的三角极性NCS空间群P 321与晶格参数一个= 4.9601（8）埃，c ^ = 6.733（2）埃，v = 143.46（6）³和Ž = 1标题与KBBF-化合物型结构由蜂窝状[Pb ₂ BO ₃ ]层和Br阴离子组成。UV-Vis-NIR漫反射光谱表明Pb ₂ BO ₃溴显示从紫外线到近红外的宽透明区域。粉末二次谐波（SHG）测试表明，它在可见光区域内是相位匹配的，并且具有显着的SHG效果，约为KDP的9.5倍。另外，电子结构计算表明，Pb ₂ BO ₃ Br的显着宏观SHG响应主要源自[BO ₃ ] ^3-三角平面基团和扭曲的PbO ₃多面体。

更新日期：2018-02-15

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