Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet

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• 作者：Chao Wu ; Longhua Li ; Junling Song ; Gang Yang ; Mark G. HumphreyChi Zhang
• 刊名：Inorganic Chemistry
• 出版年：2017
• 出版时间：February 6, 2017
• 年：2017
• 卷：56
• 期：3
• 页码：1340-1348
• 全文大小：710K
• ISSN：1520-510X

文摘

Two novel noncentrosymmetric metal borates, Ba₂[B₄O₇(OH)₂] (1) and Na[B₅O₇(OH)₂](H₂O) (2), have been obtained by hydrothermal and surfactant–thermal means. Compound 1 consists of novel one-dimensional borate chains formed by B₃O₉ and B₃O₈ rings, assembled into a three-dimensional (3D) framework by Ba²⁺ cations. The structure of 2 exhibits double-helical chains constructed from B₅O₁₀ 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 × KH₂PO₄ (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.