Wu Chao, Li Longhua, Song Junling, Yang Gang, Humphrey Mark G, Zhang Chi
School of Chemical Science and Engineering, Tongji University , Shanghai 200092, P. R. China.
School of Chemical and Material Engineering, Jiangnan University , Wuxi 214122, P. R. China.
Inorg Chem. 2017 Feb 6;56(3):1340-1348. doi: 10.1021/acs.inorgchem.6b02457. Epub 2017 Jan 11.
Two novel noncentrosymmetric metal borates, Ba[BO(OH)] (1) and NaBO(OH) (2), have been obtained by hydrothermal and surfactant-thermal means. Compound 1 consists of novel one-dimensional borate chains formed by BO and BO rings, assembled into a three-dimensional (3D) framework by Ba cations. The structure of 2 exhibits double-helical chains constructed from BO primary building units, which are interconnected via Na cations and H-bonding interactions to generate a 3D framework. Second-harmonic-generation (SHG) measurements show that 1 shows a phase-matching powder SHG response of ∼2.2 × KHPO (KDP), while 2 exhibits a weak SHG response. The cutoff edges of 1 and 2 are ∼242 and ∼221 nm, respectively, which suggests that they are potential ultraviolet nonlinear optical (NLO) materials. Band structures and NLO properties have also been theoretically studied.
通过水热法和表面活性剂热法得到了两种新型非中心对称金属硼酸盐，Ba[BO(OH)]（1）和NaBO(OH)（2）。化合物1由BO和BO环形成的新型一维硼酸盐链组成，通过Ba阳离子组装成三维（3D）骨架。2的结构呈现出由BO基本结构单元构建的双螺旋链，这些链通过Na阳离子和氢键相互作用相互连接，形成三维骨架。二次谐波产生（SHG）测量表明，1表现出约2.2×KHPO（KDP）的相位匹配粉末SHG响应，而2表现出较弱的SHG响应。1和2的截止边分别约为242和221nm，这表明它们是潜在的紫外非线性光学（NLO）材料。还对能带结构和NLO性质进行了理论研究。
