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首页> 外文期刊>Inorganic Chemistry Frontiers >Solvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical properties
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Solvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical properties

机译：溶剂控制合成的混合碱金属硼酸盐表现出UV非线性光学性质

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摘要

The mixed-alkali-metal borates NaK(B5O8)(OH)·H2O (1), NaK6[(B4O5)(OH)4]3(OH)·C2H5OH (2) and Na0.33K1.67(B4O5)(OH)4·3H2O (3) have been solvothermally synthesized using various polar organic solvents. Compounds 1 and 2 crystallize in the centrosymmetric space groups P1 and R3c, respectively. The structure of 1 features a 2D-layered framework constructed by [B5O11]7? primary building units in the ab plane, extending to a 3D framework linked by K+ and Na+ cations, while the structure of 2 can be described as isolated [B4O9]6? primary building units connected by H-bonding interactions and K-O and Na-O bonds, forming a 3D supramolecular framework. Compound 3 crystallizes in the acentric space group P62c, and its UV nonlinear optical properties have been investigated for the first time. Secondharmonic generation (SHG) measurements show that 3 is type-I phase-matching, with a moderate SHG response ca. 0.94 times that of KH2PO4. The cut-off edge of 3 is 242 nm, which suggests that 3 is a potential UV NLO material. Density functional theory calculations have been employed on 3 to rationalize its band structure and electron density as well as the density of states.
机译：混合碱金属硼酸盐Nak（B508）（OH）·H 2 O（1），NaK6 [（B4O5）（OH）4] 3（OH）·C 2 H 5 OH（2）和Na0.33K1.67（B4O5）（哦）4·3H2O（3）使用各种极性有机溶剂溶于热量合成。化合物1和2分别在邻焦体基团P1和R3C中结晶。 1的结构具有由[B5O11] 7构建的2D层框架？ AB平面中的主要建筑单元，延伸到由K +和NA +阳离子连接的3D框架，而2的结构可以描述为孤立的[B4O9] 6？通过H键合相互作用和K-O和Na-O键连接的主要建筑单元，形成3D超分子框架。化合物3在龈碱基组P62C中结晶，并首次研究了其UV非线性光学性质。二谐发电（SHG）测量表明，3是类型-I相位匹配，具有中等SHG响应CA。 KH2PO4的0.94倍。 3的截止边缘为242nm，表明3是潜在的UV NLO材料。密度函数理论计算已经采用3，以合理化其带结构和电子密度以及状态的密度。

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  • 来源
    《Inorganic Chemistry Frontiers》 |2017年第4期|共9页
  • 作者

    Chao Wu; Longhua Li; Junling Song;

  • 作者单位

    China-Australia Joint Research Center for Functional Molecular Materials School of Chemical and Material Engineering Jiangnan University Wuxi 214122 P. R. China;

    China-Australia Joint Research Center for Functional Molecular Materials Jiangsu University Zhenjiang 212013 P. R. China;

    China-Australia Joint Research Center for Functional Molecular Materials School of Chemical and Material Engineering Jiangnan University Wuxi 214122 P. R. China;

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  • 正文语种 eng
  • 中图分类 无机化学;
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