BaLa4(SiS4)2(BS3)2：通过调整阳离子大小获得结构有序的硫硼酸盐-硫硅酸盐

IF 4.7 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Pub Date : 2025-03-19 DOI:10.1021/acs.inorgchem.5c00083

Ya-Xiang Han, Ming-Zhi Zhang, Chun-Li Hu, Jiang-Gao Mao

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引用次数: 0

摘要

硫硼酸盐是非线性光学材料、双折射材料和固态电解质的重要组成部分。在已知硫代硼酸盐均为无序结构且原子位共占的困境下，通过调整阳离子大小，成功制备了首个结构有序的硫代硼酸盐BaLa4(SiS4)2(BS3)2。它具有由La-B-S链和La-Si-S双层层组装的新型3D隧道网络。此外，BaLa4(SiS4)2(BS3)2具有良好的化学稳定性和热稳定性（高达880°C），宽透光范围（0.4-11 μm），宽带隙（3.25 eV），中等双折射（0.076 @ 546 nm）和高激光诱导损伤阈值（6 × AgGaS2）。理论计算表明，[BS3]3 -官能团是双折射的主要贡献者。这项工作丰富了硫代酸盐-硫代硅酸盐的结构类型，并扩展了对混合阴离子硫代酸盐的见解。

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BaLa4(SiS4)2(BS3)2: Structurally Ordered Thioborate-Thiosilicate Obtained by Adjusting the Cationic Size

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BaLa4(SiS4)2(BS3)2: Structurally Ordered Thioborate-Thiosilicate Obtained by Adjusting the Cationic Size

Thioborates are of interest as nonlinear optical materials, birefringent materials, and solid-state electrolytes. Under the dilemma that all known thioborate–thiosilates are disordered structures with co-occupied atomic sites, the first structurally ordered thioborate-thiosilicate, BaLa₄(SiS₄)₂(BS₃)₂, has been successfully obtained by adjusting the cationic size. It features a novel 3D tunnel network assembled by La–B–S chains and La–Si–S bilayers. In addition, BaLa₄(SiS₄)₂(BS₃)₂ exhibits good chemical and thermal stability (up to 880 °C), wide light transmission range (0.4–11 μm), wide band gap (3.25 eV), moderate birefringence (0.076 @ 546 nm), and high laser-induced damage threshold (6 × AgGaS₂). Theoretical calculations showed that the [BS₃]^3– functional group is the main contributor to birefringence. This work enriches the structure types of thioborate-thiosilicate and expands insights into mixed anionic thioborates.

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来源期刊

Inorganic Chemistry 化学-无机化学与核化学

CiteScore

7.60

自引率

13.00%

发文量

1960

审稿时长

1.9 months

期刊介绍： Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.